Geometry & MOs

Info

ID:	123181
PubChem CID:	50836616
Reduced:	ClOSN4C24H29 (1)
Stoich.:	ABCD4E24F29 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	12.56
Dipole, Da:	3.9
IP(EA), eV:	-8.65(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-propyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)CN2C=CC=C2C3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations