Geometry & MOs

Info

ID:	129958
PubChem CID:	51074396
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	5.29
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CN(C)S(=O)(=O)C3=C(ON=C3C)C

DOS

IR

Vibrations