Geometry & MOs

Info

ID:	177591
PubChem CID:	76202842
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	-87.78
Dipole, Da:	4.16
IP(EA), eV:	-8.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[C-methyl-N-(1H-pyrazol-4-ylmethyl)carbonimidoyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCC1C(=NC2=C(C1=O)C=C(C=C2OC)OC)C

DOS

IR

Vibrations