Geometry & MOs

Info

ID:	439141
PubChem CID:	135228906
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	16.5
Dipole, Da:	5.07
IP(EA), eV:	-8.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-10-ethyl-9-(2-methylpyrimidin-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=CNNC(C2=C1CC=CC=C2)CC(C3CCN(CC3)C(=O)C(C)(C)C)N=O

DOS

IR

Vibrations