Geometry & MOs

Info

ID:	438907
PubChem CID:	135228668
Reduced:	N2O3C28H38 (1)
Stoich.:	A2B3C28D38 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	8.75
IP(EA), eV:	-8.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-10-methoxy-9-(2-pyrrolidin-1-ylpyrimidin-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCCCN/C=C(\C=C)/C1=C(C=C\2C(=C1)CC(N/C2=C\C(=O)/C(=C\C)/C(=O)C)C(C)C)OC

DOS

IR

Vibrations