Geometry & MOs

Info

ID:	266646
PubChem CID:	103577713
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	2.98
IP(EA), eV:	-8.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methylpyrrolidin-1-yl)-6-ethylsulfanylbenzonitrile

Drug info:

PubChemData

Smile

CC1CN(CC1N)C2=NC=CN(C2=O)C(C)C

DOS

IR

Vibrations