Geometry & MOs

Info

ID:	143810
PubChem CID:	53266478
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	7.5
IP(EA), eV:	-8.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC2=CC=CC=C2C(C)(C)C

DOS

IR

Vibrations