Geometry & MOs

Info

ID:	438799
PubChem CID:	135228556
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	556.377727
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	5.28
IP(EA), eV:	-9.32(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-2-(6-tert-butyl-10-ethyl-2-oxo-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)buta-1,3-dienyl]-2-[3-(1-hydroxyethenyl)hexyl]guanidine

Drug info:

PubChemData

Smile

CC1C(=C(C(=O)N1C(C)C)C)O

DOS

IR

Vibrations