Geometry & MOs

Info

ID:	375029
PubChem CID:	131465254
Reduced:	N4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	204.137497
ΔH_f, kcal/mol:	55.12
Dipole, Da:	7.04
IP(EA), eV:	-9.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butanenitrile

Drug info:

PubChemData

Smile

CN1C(=C(N=C1C2CCC2)C#N)CCN

DOS

IR

Vibrations