Geometry & MOs

Info

ID:	189175
PubChem CID:	77824904
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	426.180424
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	3.85
IP(EA), eV:	-9.13(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-aminopropan-2-yl)-5-(5-cyano-2-hydroxyphenyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-3,5-dihydrobenzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC(C)C1=CC=CC=C1)CN

DOS

IR

Vibrations