Geometry & MOs

Info

ID:	252883
PubChem CID:	103114772
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-60.62
Dipole, Da:	4.81
IP(EA), eV:	-10.13(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CCCCl

DOS

IR

Vibrations