Geometry & MOs

Info

ID:	198077
PubChem CID:	79043989
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	290.083747
ΔH_f, kcal/mol:	-126.26
Dipole, Da:	3.63
IP(EA), eV:	-9.08(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-cyclopropyl-4-(2-methylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1C(CCCN1)N2C(=O)COCC2=O

DOS

IR

Vibrations