Geometry & MOs

Info

ID:	121752
PubChem CID:	50780259
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	2.19
Dipole, Da:	4.3
IP(EA), eV:	-8.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=NOC(=N4)C(C)C)C

DOS

IR

Vibrations