Geometry & MOs

Info

ID:	252289
PubChem CID:	103110309
Reduced:	OCl2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	4.46
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-6-methylpyridin-2-yl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations