Geometry & MOs

Info

ID:	171551
PubChem CID:	75393375
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	8.75
IP(EA), eV:	-9.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-2-(triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)NC2CCCN(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations