Geometry & MOs

Info

ID:	46303
PubChem CID:	10523796
Reduced:	N2C17H21 (1)
Stoich.:	A2B17C21 (1)
Weight, g/mol:	380.125988
ΔH_f, kcal/mol:	59.34
Dipole, Da:	2.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.471085
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-methoxy-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]anthracene-9,10-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C2=CC=CC=[N+]2C)N(C)C

DOS

IR

Vibrations