Geometry & MOs

Info

ID:	438738
PubChem CID:	135228491
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	491.314792
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	2.51
IP(EA), eV:	-8.4(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-3-butanoyl-6-tert-butyl-10-methoxy-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C=C)CC(C(C)C)N

DOS

IR

Vibrations