Geometry & MOs

Info

ID:	142366
PubChem CID:	53021714
Reduced:	O3N6C28H30 (1)
Stoich.:	A3B6C28D30 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	3.04
IP(EA), eV:	-8.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chlorophenyl)-5-[2-(4-methylpiperazin-1-yl)ethylamino]-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)NC2CCN(CC2)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations