Geometry & MOs

Info

ID:	344260
PubChem CID:	127267436
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	4.02
IP(EA), eV:	-8.87(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methoxyphenyl)triazol-4-yl]-2-(oxolan-2-ylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(CC(=C)C)C(=O)NC1=CC=CC(=C1)C2OCCO2

DOS

IR

Vibrations