Geometry & MOs

Info

ID:	36008
PubChem CID:	7980633
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	417.194008
ΔH_f, kcal/mol:	-20.47
Dipole, Da:	3.81
IP(EA), eV:	-8.59(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylphenoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations