Geometry & MOs

Info

ID:	291573
PubChem CID:	113445080
Reduced:	ClN3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	74.08
Dipole, Da:	9.27
IP(EA), eV:	-9.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxybutyl)-1H-benzimidazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CC(CC1CC1)N2C3=CC=CC(=C3N=C2CCl)C#N

DOS

IR

Vibrations