Geometry & MOs

Info

ID:

122198

PubChem CID:

50797780

Reduced:

O3N5H29C31 (1)

Stoich.:

A3B5C29D31 (1)

Weight, g/mol:

507.207053

ΔHf, kcal/mol:

35.95

Dipole, Da:

4.97

IP(EA), eV:

 -8.48(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-3-phenyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1CN(C(C3=CC=CN32)C4=CC=C(C=C4)OC)C(=O)NC5=CC=CC=C5OC)C6=CC=CC=C6

DOS

IR

Vibrations