Geometry & MOs

Info

ID:	315889
PubChem CID:	126629308
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	6.15
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C3=C(NN=C3)CO)OCC4CC4)F

DOS

IR

Vibrations