Geometry & MOs

Info

ID:

420808

PubChem CID:

135114864

Reduced:

N2O3C21H32 (1)

Stoich.:

A2B3C21D32 (1)

Weight, g/mol:

661.358782

ΔHf, kcal/mol:

-101.79

Dipole, Da:

2.03

IP(EA), eV:

-8.63(0.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,6S)-13-(cycloheptanecarbonyl)-22-methoxy-5-(1-methylimidazo[1,2-b]pyrazole-7-carbonyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

C1CN(CCC12CCO2)CC3=CC(=CC=C3)OCCCN4CCOCC4

DOS

IR

Vibrations