Geometry & MOs

Info

ID:	320444
PubChem CID:	126661041
Reduced:	ON2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	276.137497
ΔH_f, kcal/mol:	41.82
Dipole, Da:	2.46
IP(EA), eV:	-9.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-phenyl-4,5-dihydroimidazol-1-yl)-2,9-diazabicyclo[4.3.1]deca-1,3,5,7-tetraene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1C2=CC=CC=C2)C#N)/C=C/3\CCCCNC3=O

DOS

IR

Vibrations