Geometry & MOs

Info

ID:	171542
PubChem CID:	75391459
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	6.24
IP(EA), eV:	-9.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(C)(CO)C2CC2

DOS

IR

Vibrations