Geometry & MOs

Info

ID:	143811
PubChem CID:	53266665
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	7.41
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations