Geometry & MOs

Info

ID:	292980
PubChem CID:	117368042
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	7.88
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methoxy-5-(piperidin-2-ylmethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)N1CCN(C1=O)C2=CC=CC=C2C(=O)C

DOS

IR

Vibrations