Geometry & MOs

Info

ID:	233696
PubChem CID:	92092916
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	342.148061
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	12.19
IP(EA), eV:	-10.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations