Geometry & MOs

Info

ID:	152293
PubChem CID:	56311193
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-94.99
Dipole, Da:	5.88
IP(EA), eV:	-8.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=CC=CC=C2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations