Geometry & MOs

Info

ID:	35451
PubChem CID:	7979886
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	390.098249
ΔH_f, kcal/mol:	-61.4
Dipole, Da:	4.09
IP(EA), eV:	-9.06(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-chloro-2-nitrophenoxy)acetyl]phenyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations