Geometry & MOs

Info

ID:	68614
PubChem CID:	46508767
Reduced:	OF4N5H17C18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	463.170748
ΔH_f, kcal/mol:	-158.01
Dipole, Da:	10.98
IP(EA), eV:	-10.08(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)NC(C)C3=CC=CC=C3F

DOS

IR

Vibrations