Geometry & MOs

Info

ID:	79110
PubChem CID:	49746813
Reduced:	O3N7H13C17 (1)
Stoich.:	A3B7C13D17 (1)
Weight, g/mol:	433.149852
ΔH_f, kcal/mol:	98.02
Dipole, Da:	4.61
IP(EA), eV:	-9.43(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=NNC(=C2)C3=CC=CO3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations