Geometry & MOs

Info

ID:	310512
PubChem CID:	126581299
Reduced:	N2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	343.180839
ΔH_f, kcal/mol:	169.08
Dipole, Da:	4.69
IP(EA), eV:	-9.24(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C1=C2C=CC3=C=C=CN=C3C2=NC=C1

DOS

IR

Vibrations