Geometry & MOs

Info

ID:	439145
PubChem CID:	135228910
Reduced:	O5N7H21C28 (1)
Stoich.:	A5B7C21D28 (1)
Weight, g/mol:	438.303499
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	11.74
IP(EA), eV:	-8.98(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-2-methylidene-9-(6-methylpyridin-3-yl)-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)C=N6

DOS

IR

Vibrations