Geometry & MOs

Info

ID:

440966

PubChem CID:

135232510

Reduced:

NO4H27C29 (1)

Stoich.:

AB4C27D29 (1)

Weight, g/mol:

451.214744

ΔHf, kcal/mol:

-90.96

Dipole, Da:

10.92

IP(EA), eV:

 -8.28(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20,25-dimethyl-25-(2-oxopentyl)-10-oxa-14-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1,3,5,8,15(24),16,18(23),19,21-nonaen-7-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1(C2=C(C=CC3=C2C=CC(=C3)C)N4C1=C5C=C6C=CC(=O)C=C6OC5CC4)C

DOS

IR

Vibrations