Geometry & MOs

Info

ID:	438985
PubChem CID:	135228746
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-122.19
Dipole, Da:	8.89
IP(EA), eV:	-9.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-9-[2-(dimethylamino)pyrimidin-5-yl]-10-methoxy-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations