Geometry & MOs

Info

ID:	337719
PubChem CID:	127258342
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	6.88
IP(EA), eV:	-8.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(E)-3-chloroprop-2-enyl]-(2-cyanoethyl)amino]phenyl]butanamide

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=CC=CC=C1C2=CC=CC=C2

DOS

IR

Vibrations