Geometry & MOs

Info

ID:	415499
PubChem CID:	135088495
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	5.69
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations