Geometry & MOs

Info

ID:	439010
PubChem CID:	135228772
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	518.325691
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	4.56
IP(EA), eV:	-8.48(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC(C(C)C)NC=O)OC

DOS

IR

Vibrations