Geometry & MOs

Info

ID:	260776
PubChem CID:	103203584
Reduced:	N3C12H17 (1)
Stoich.:	A3B12C17 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	52.58
Dipole, Da:	5.62
IP(EA), eV:	-8.89(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(C1)NCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations