Geometry & MOs

Info

ID:	310518
PubChem CID:	126581501
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	317.165188
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	3.13
IP(EA), eV:	-9.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C(C=N)C#N

DOS

IR

Vibrations