Geometry & MOs

Info

ID:	175091
PubChem CID:	75854729
Reduced:	ON3C18H32 (1)
Stoich.:	AB3C18D32 (1)
Weight, g/mol:	360.207587
ΔH_f, kcal/mol:	-28.7
Dipole, Da:	3.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752214
Charge, e:	1

Chem-info

IUPAC name:

1'-(2-phenoxyethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidin-1-ium]

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)NCC(C)(C)C[NH+](C)C

DOS

IR

Vibrations