Geometry & MOs

Info

ID:	145852
PubChem CID:	53602242
Reduced:	FNSO3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	308.138559
ΔH_f, kcal/mol:	-146.72
Dipole, Da:	4.89
IP(EA), eV:	-9.04(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NCC1=C(SC2=CC=CC(=C21)F)C(=O)OC

DOS

IR

Vibrations