Geometry & MOs

Info

ID:	233693
PubChem CID:	92092905
Reduced:	N3O3H27C28 (1)
Stoich.:	A3B3C27D28 (1)
Weight, g/mol:	385.074868
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	3.07
IP(EA), eV:	-8.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations