Geometry & MOs

Info

ID:	277535
PubChem CID:	103829261
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	7.69
IP(EA), eV:	-9.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-cyano-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(C2)C(=O)N)C#N

DOS

IR

Vibrations