Geometry & MOs

Info

ID:	439042
PubChem CID:	135228805
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	9.67
IP(EA), eV:	-8.55(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[(Z)-1-iminobut-2-en-2-yl]-10-methoxy-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)/C(=C/N)/C=NC4COC4

DOS

IR

Vibrations