Geometry & MOs

Info

ID:	439146
PubChem CID:	135228911
Reduced:	N2C31H38 (1)
Stoich.:	A2B31C38 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	42.49
Dipole, Da:	5.45
IP(EA), eV:	-7.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(6-acetamidopyridin-3-yl)-6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)CC)C4=CN=C(C=C4)C)C(C)(C)C

DOS

IR

Vibrations