Geometry & MOs

Info

ID:	236889
PubChem CID:	92715472
Reduced:	NO3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-197.63
Dipole, Da:	4.78
IP(EA), eV:	-8.12(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11bR)-9,10-diethoxy-3-(4-methylphenyl)-1,6,7,11b-tetrahydropyrimido[6,1-a]isoquinoline-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@@H]3CC(=O)N(C(=O)N3CCC2=C1)C4=CC(=C(C=C4)OC)OC)OCC

DOS

IR

Vibrations