Geometry & MOs

Info

ID:	290264
PubChem CID:	104424777
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	0.49
IP(EA), eV:	-8.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyanopyridin-4-yl)amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CCNC1=C(C(=CC=C1)SC)C#N

DOS

IR

Vibrations