Geometry & MOs

Info

ID:	82730
PubChem CID:	49856405
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	474.187875
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	2.5
IP(EA), eV:	-9.56(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N)NC(=O)C1=C(C=C(C=N1)C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations