Geometry & MOs

Info

ID:	343417
PubChem CID:	127266590
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	294.068367
ΔH_f, kcal/mol:	25.93
Dipole, Da:	3.11
IP(EA), eV:	-9.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)CC3=NC=NN3

DOS

IR

Vibrations