Geometry & MOs

Info

ID:	160864
PubChem CID:	57390039
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	390.160437
ΔH_f, kcal/mol:	29.28
Dipole, Da:	6.77
IP(EA), eV:	-8.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=CC3=CN=C(N=C32)N(C)C)C(=N1)C(=O)N

DOS

IR

Vibrations