Geometry & MOs

Info

ID:	166318
PubChem CID:	74670167
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	359.140055
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	7.25
IP(EA), eV:	-8.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methylphenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC(=NO3)C

DOS

IR

Vibrations