Geometry & MOs

Info

ID:	425937
PubChem CID:	135132659
Reduced:	O2F3N4H15C28 (1)
Stoich.:	A2B3C4D15E28 (1)
Weight, g/mol:	421.145614
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	5.83
IP(EA), eV:	-8.56(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=C4C(=C(N5C4=NC6=C5C=CC(=C6)C(F)(F)F)C7=CC=CO7)C3=N2)C8=CC=CO8

DOS

IR

Vibrations