Geometry & MOs

Info

ID:	121703
PubChem CID:	50778195
Reduced:	FO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	3.2
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzhydryl-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC(=CC=C3)NC(=O)NC(C)C)F

DOS

IR

Vibrations