Geometry & MOs

Info

ID:	19705
PubChem CID:	570856
Reduced:	N3O5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-68.87
Dipole, Da:	10.33
IP(EA), eV:	-9.41(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-hydroxyphenyl)-1-(4-nitroanilino)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations