Geometry & MOs

Info

ID:	152178
PubChem CID:	56311049
Reduced:	N4O4C27H36 (1)
Stoich.:	A4B4C27D36 (1)
Weight, g/mol:	437.169919
ΔH_f, kcal/mol:	-136.01
Dipole, Da:	3.67
IP(EA), eV:	-8.04(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CC(OC(C3)C)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations