Geometry & MOs

Info

ID:	187017
PubChem CID:	77518732
Reduced:	NOH7C11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	428.158351
ΔH_f, kcal/mol:	145.7
Dipole, Da:	10.73
IP(EA), eV:	-9.0(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4S,4aS,6S,12aS)-2-(aminomethylidene)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C3C4C2=CC=CC4=C5C3=C(C(=O)N5)C#N

DOS

IR

Vibrations