Geometry & MOs

Info

ID:	177905
PubChem CID:	76250423
Reduced:	OSN5H23C24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	104.84
Dipole, Da:	3.23
IP(EA), eV:	-8.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(dimethylamino)pyridin-3-yl]methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=C1)CNC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations