Geometry & MOs

Info

ID:	212960
PubChem CID:	81062410
Reduced:	NO2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	302.141262
ΔH_f, kcal/mol:	-215.21
Dipole, Da:	7.27
IP(EA), eV:	-9.52(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-ethoxyethyl(methyl)amino]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)NC(C)(C)C(C)(C)C(=O)O

DOS

IR

Vibrations