Geometry & MOs

Info

ID:	233690
PubChem CID:	92092881
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	404.104003
ΔH_f, kcal/mol:	-34.79
Dipole, Da:	5.71
IP(EA), eV:	-8.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-methyl-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations