Geometry & MOs

Info

ID:	79167
PubChem CID:	49747199
Reduced:	ClO2N6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	72.86
Dipole, Da:	2.25
IP(EA), eV:	-9.1(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)ethyl]-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C(CN1C(=O)NC2=CC=CC=C2Cl)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations