Geometry & MOs

Info

ID:	43424
PubChem CID:	10321271
Reduced:	ClON4H25C26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	444.127441
ΔH_f, kcal/mol:	55.49
Dipole, Da:	2.3
IP(EA), eV:	-8.89(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)CCN3C(=O)C4=C(C=C(C=C4)C5=CC=C(C=C5)Cl)N=N3

DOS

IR

Vibrations