Geometry & MOs

Info

ID:	12836
PubChem CID:	146500
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	5.15
IP(EA), eV:	-8.77(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylamino)-N-[4-[3-(methylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide

Drug info:

PubChemData

Smile

CNCCC(=O)NC1=C2C(=C(C=C1)NC(=O)CCNC)C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations