Geometry & MOs

Info

ID:	166129
PubChem CID:	74641065
Reduced:	BrN2O4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	451.153206
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	5.94
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-(naphthalen-2-ylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(=CC2=C(C=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations