Geometry & MOs

Info

ID:

66345

PubChem CID:

46504385

Reduced:

N4O7H36C37 (1)

Stoich.:

A4B7C36D37 (1)

Weight, g/mol:

606.247835

ΔHf, kcal/mol:

-113.04

Dipole, Da:

8.12

IP(EA), eV:

 -8.13(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-methoxyanilino)-12-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)N6CCN(CC6)CC7=C(C(=C(C=C7)OC)OC)OC

DOS

IR

Vibrations