Geometry & MOs

Info

ID:	439154
PubChem CID:	135228919
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	468.288912
ΔH_f, kcal/mol:	-90.48
Dipole, Da:	12.58
IP(EA), eV:	-8.8(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[2-(cyclopropylmethylamino)pyrimidin-5-yl]-10-ethyl-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(N=C4)NCC5CC5

DOS

IR

Vibrations