Geometry & MOs

Info

ID:	48265
PubChem CID:	10538473
Reduced:	NOSiC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	247.076392
ΔH_f, kcal/mol:	-73.89
Dipole, Da:	3.62
IP(EA), eV:	-9.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aS)-8-chloro-4-methyl-4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(C#N)O[Si](C)(C)C)C

DOS

IR

Vibrations