Geometry & MOs

Info

ID:

177299

PubChem CID:

76164069

Reduced:

N4O4C29H30 (1)

Stoich.:

A4B4C29D30 (1)

Weight, g/mol:

489.223926

ΔHf, kcal/mol:

-87.22

Dipole, Da:

5.78

IP(EA), eV:

 -8.63(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(hydroxymethyl)-5-phenyl-11-(piperidine-1-carbonyl)-12-(3,3,3-trifluoropropyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC=CC1=CC=C2C3C(CN2C1=O)C(C(N3C(=O)C4=CC=CC=N4)C(=O)NC(C)C5=CC=CC=C5)CO

DOS

IR

Vibrations