Geometry & MOs

Info

ID:	381420
PubChem CID:	134972146
Reduced:	NO3C31H51 (1)
Stoich.:	AB3C31D51 (1)
Weight, g/mol:	431.103669
ΔH_f, kcal/mol:	-214.34
Dipole, Da:	4.65
IP(EA), eV:	-9.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-anilino-7-(4-chloroanilino)-5,8-dioxonaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=CC(=C(C=C1)C(=O)CC2(CCCCC2)NC(=O)C)O

DOS

IR

Vibrations