Geometry & MOs

Info

ID:	438768
PubChem CID:	135228522
Reduced:	NOC7H8 (4)
Stoich.:	ABC7D8 (4)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	7.52
IP(EA), eV:	-8.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-(2-methylpyrimidin-5-yl)-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(N=C4)N5CCC5)C(C)(C)C

DOS

IR

Vibrations