Geometry & MOs

Info

ID:	244450
PubChem CID:	99355567
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	438.160437
ΔH_f, kcal/mol:	6.36
Dipole, Da:	7.12
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)N3C=NN=C3

DOS

IR

Vibrations