Geometry & MOs

Info

ID:	68565
PubChem CID:	46508654
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	406.140783
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	5.28
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chlorophenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations