Geometry & MOs

Info

ID:	290054
PubChem CID:	104404667
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	4.78
IP(EA), eV:	-8.11(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC(C)C(=O)N2CCCC2)C)N

DOS

IR

Vibrations