Geometry & MOs

Info

ID:	334588
PubChem CID:	127253263
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	523.23185
ΔH_f, kcal/mol:	13.83
Dipole, Da:	7.55
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10aS)-2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-7,8-dimethoxy-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CCCN4C=CC=C4

DOS

IR

Vibrations