Geometry & MOs

Info

ID:	236890
PubChem CID:	92715475
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	416.154764
ΔH_f, kcal/mol:	-136.1
Dipole, Da:	5.52
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11bR)-3-(2,4-difluorophenyl)-9,10-diethoxy-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)C)OCC

DOS

IR

Vibrations