Geometry & MOs

Info

ID:	381528
PubChem CID:	134972291
Reduced:	ClN2O2C26H27 (1)
Stoich.:	AB2C2D26E27 (1)
Weight, g/mol:	368.152478
ΔH_f, kcal/mol:	-28.3
Dipole, Da:	2.46
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-3-(4-methylanilino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@@H](C1=CC=C(C=C1)Cl)[C@](C#N)(C2=CC3=CC=CC=C3C=C2)NC

DOS

IR

Vibrations