Geometry & MOs

Info

ID:	234048
PubChem CID:	92297617
Reduced:	O3N6C31H34 (1)
Stoich.:	A3B6C31D34 (1)
Weight, g/mol:	328.131074
ΔH_f, kcal/mol:	26.89
Dipole, Da:	10.62
IP(EA), eV:	-8.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,4S,4aS,9aS)-4-methoxy-4a-methyl-9,10-dioxo-4,9a-dihydro-1H-anthracen-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3C4CCCC4)N(CC5=CC=C(C=C5)OC)CC6=CC=CO6)C

DOS

IR

Vibrations