Geometry & MOs

Info

ID:	295311
PubChem CID:	117526175
Reduced:	N3C14H21 (1)
Stoich.:	A3B14C21 (1)
Weight, g/mol:	252.137497
ΔH_f, kcal/mol:	8.61
Dipole, Da:	3.56
IP(EA), eV:	-8.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1)C=C(C=C2)CCC(C)(C)N

DOS

IR

Vibrations