Geometry & MOs

Info

ID:	418230
PubChem CID:	135103916
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	7.67
IP(EA), eV:	-8.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C)C

DOS

IR

Vibrations