Geometry & MOs

Info

ID:	209665
PubChem CID:	80700638
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-174.86
Dipole, Da:	7.44
IP(EA), eV:	-8.67(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCOC(=O)CCC1=CC(=CC=C1)N

DOS

IR

Vibrations