Geometry & MOs

Info

ID:	158140
PubChem CID:	56463049
Reduced:	OF2N3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	496.247441
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	1.65
IP(EA), eV:	-9.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[3-methyl-1-oxo-1-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations