Geometry & MOs

Info

ID:	422058
PubChem CID:	135117109
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	55.94
Dipole, Da:	3.72
IP(EA), eV:	-7.75(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyridin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NNC(=N2)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations