Geometry & MOs

Info

ID:	164431
PubChem CID:	74399771
Reduced:	SiO2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	405.278013
ΔH_f, kcal/mol:	-78.12
Dipole, Da:	4.34
IP(EA), eV:	-9.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline

Drug info:

PubChemData

Smile

CCCCCC(C(C1=CC=CC=C1)O[Si](C)(C)C)NC(=O)N=[N+]=[N-]

DOS

IR

Vibrations