Geometry & MOs

Info

ID:	157980
PubChem CID:	56459369
Reduced:	N3O3F4H19C20 (1)
Stoich.:	A3B3C4D19E20 (1)
Weight, g/mol:	462.217952
ΔH_f, kcal/mol:	-261.96
Dipole, Da:	2.07
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN(C)C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)OC(F)F

DOS

IR

Vibrations