Geometry & MOs

Info

ID:	160741
PubChem CID:	57389636
Reduced:	ClFON7H19C21 (1)
Stoich.:	ABCD7E19F21 (1)
Weight, g/mol:	402.160437
ΔH_f, kcal/mol:	71.15
Dipole, Da:	3.56
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide

Drug info:

PubChemData

Smile

CCN(CCN1C=CC(=N1)C2=NC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)Cl)N4N=CC=N4

DOS

IR

Vibrations