Geometry & MOs

Info

ID:	172414
PubChem CID:	75507226
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	312.077789
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	3.69
IP(EA), eV:	-9.2(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC#N)NC(=O)CC1=CC=C(C=C1)O

DOS

IR

Vibrations