Geometry & MOs

Info

ID:	265129
PubChem CID:	103510846
Reduced:	N7C13H21 (1)
Stoich.:	A7B13C21 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	75.44
Dipole, Da:	3.86
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-3-methyl-N-propan-2-ylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CNCC1CCN(CC1)C2=NNC(=N2)C3=CN=CN3C

DOS

IR

Vibrations