Geometry & MOs

Info

ID:	438964
PubChem CID:	135228725
Reduced:	F2N3O4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	431.293663
ΔH_f, kcal/mol:	-200.95
Dipole, Da:	10.57
IP(EA), eV:	-9.14(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[(Z)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-6-tert-butyl-10-ethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN(N=C4)C(F)F

DOS

IR

Vibrations