Geometry & MOs

Info

ID:	37702
PubChem CID:	8023431
Reduced:	NO5H13C17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	376.078325
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	2.99
IP(EA), eV:	-8.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations