Geometry & MOs

Info

ID:	315888
PubChem CID:	126629303
Reduced:	F2N2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-143.36
Dipole, Da:	6.28
IP(EA), eV:	-9.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations