Geometry & MOs

Info

ID:	438935
PubChem CID:	135228696
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	130.21
Dipole, Da:	3.7
IP(EA), eV:	-9.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-10-methoxy-9-(6-methylpyridin-3-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1[C@@H](CC2C3=C(C=CC#CC3)C4=CN=CN24)O)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations