Geometry & MOs

Info

ID:	198405
PubChem CID:	79097201
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	231.173548
ΔH_f, kcal/mol:	-41.79
Dipole, Da:	0.86
IP(EA), eV:	-8.65(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[3-(1-amino-2-methylpropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile

Drug info:

PubChemData

Smile

CCOCN1C=CC(=C1)C(C(C)C)N

DOS

IR

Vibrations