Geometry & MOs

Info

ID:	438998
PubChem CID:	135228760
Reduced:	NC33H45 (1)
Stoich.:	AB33C45 (1)
Weight, g/mol:	442.273262
ΔH_f, kcal/mol:	70.51
Dipole, Da:	1.38
IP(EA), eV:	-8.12(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC/C=C\C(=C/NC=C)\C1=CC(=C(C=C1)/C(=C/C(=C)/C(=C\C)/C=C=C)/C)CC(C)C(C)(C)C

DOS

IR

Vibrations