Geometry & MOs

Info

ID:	252920
PubChem CID:	103114946
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	274.027583
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	3.88
IP(EA), eV:	-9.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,3-dichloro-N-[(2-methyl-3-nitrophenyl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)NCC1=C(C(=CC=C1)[N+](=O)[O-])C

DOS

IR

Vibrations