Geometry & MOs

Info

ID:	206663
PubChem CID:	80278926
Reduced:	N2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	162.090546
ΔH_f, kcal/mol:	51.48
Dipole, Da:	5.52
IP(EA), eV:	-9.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminobut-2-enyl)imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1N)N2C=CN=C2C#N

DOS

IR

Vibrations