Geometry & MOs

Info

ID:	438864
PubChem CID:	135228622
Reduced:	FSO4N5C25H28 (1)
Stoich.:	ABC4D5E25F28 (1)
Weight, g/mol:	444.241293
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	3.13
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-6-tert-butyl-10-methoxy-9-(6-methylpyridin-3-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=C(C=CC(=C3)F)OC)[C@H](C)C(=O)NC(C)C)N4C=CC=N4

DOS

IR

Vibrations