Geometry & MOs

Info

ID:	283798
PubChem CID:	104008209
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-91.96
Dipole, Da:	5.01
IP(EA), eV:	-8.51(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxybenzoyl)-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C)CNC(=O)CC2=CC=CC=C2O

DOS

IR

Vibrations