Geometry & MOs

Info

ID:	439064
PubChem CID:	135228827
Reduced:	ON2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	14.54
Dipole, Da:	2.24
IP(EA), eV:	-7.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-ethyl-2-oxo-9-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)OC)C(=N)C)C(C)(C)C

DOS

IR

Vibrations