Geometry & MOs

Info

ID:	196339
PubChem CID:	78813631
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	4.89
IP(EA), eV:	-8.61(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CCNC(=O)CC2CCCC2

DOS

IR

Vibrations