Geometry & MOs

Info

ID:	306660
PubChem CID:	125165209
Reduced:	FN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	368.140389
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	4.23
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-cyanopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CC[C@](C2)(C3=CC=CC=C3C)O)F

DOS

IR

Vibrations