Geometry & MOs

Info

ID:	308043
PubChem CID:	125312609
Reduced:	O2N3H17C21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	458.125355
ΔH_f, kcal/mol:	19.24
Dipole, Da:	4.71
IP(EA), eV:	-8.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)methoxy]-2-[(3S)-4-(2-methoxyphenyl)-5-(trifluoromethyl)-3H-pyrazol-3-yl]phenol

Drug info:

PubChemData

Smile

C1C(=NN(C1=O)C2=CC=CC=C2)CNC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations