Geometry & MOs

Info

ID:	438971
PubChem CID:	135228732
Reduced:	ClC30H41 (1)
Stoich.:	AB30C41 (1)
Weight, g/mol:	476.278741
ΔH_f, kcal/mol:	28.56
Dipole, Da:	2.78
IP(EA), eV:	-8.88(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[(Z)-2-(3-acetyl-6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizin-9-yl)but-2-enylidene]-2-propylguanidine

Drug info:

PubChemData

Smile

C/C=C(\C/C=C(\C)/C1=C(C=C(C=C1)/C(=C/C)/C=C\CCCl)CC(C)C(C)(C)C)/C=C=C

DOS

IR

Vibrations