Geometry & MOs

Info

ID:	244159
PubChem CID:	99319129
Reduced:	F2N4O4C17H18 (1)
Stoich.:	A2B4C4D17E18 (1)
Weight, g/mol:	426.16158
ΔH_f, kcal/mol:	-255.0
Dipole, Da:	4.26
IP(EA), eV:	-9.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=O)N1)CCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations