Geometry & MOs

Info

ID:	310522
PubChem CID:	126581517
Reduced:	FO2N5C17H20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	356.176087
ΔH_f, kcal/mol:	-0.64
Dipole, Da:	5.62
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-amino-1-[1-(2-cyanoethyl)-3-methylpyrrolidin-3-yl]ethenyl]-6-fluoro-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(CCN=O)C1=CNN2C1=NC3=CC(=CC(=C32)C(=O)N)F

DOS

IR

Vibrations