Geometry & MOs

Info

ID:	438775
PubChem CID:	135228529
Reduced:	N4O5C25H30 (1)
Stoich.:	A4B5C25D30 (1)
Weight, g/mol:	458.268176
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	14.55
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-but-1-en-2-yl-6-tert-butyl-9-[2-(dimethylamino)pyrimidin-5-yl]-10-methoxy-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)OC)OC)C4=NN(C=N4)CCCO

DOS

IR

Vibrations