Geometry & MOs

Info

ID:	62081
PubChem CID:	26717492
Reduced:	SN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	294.032668
ΔH_f, kcal/mol:	-142.13
Dipole, Da:	6.86
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations