Geometry & MOs

Info

ID:	77380
PubChem CID:	48427295
Reduced:	NOH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	50.09
Dipole, Da:	5.94
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-1-propanoyl-N-prop-2-ynylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)COC2=CC=CC(=C2)C#N

DOS

IR

Vibrations