Geometry & MOs

Info

ID:	149203
PubChem CID:	53788875
Reduced:	F2N3O3C16H25 (1)
Stoich.:	A2B3C3D16E25 (1)
Weight, g/mol:	305.048653
ΔH_f, kcal/mol:	-242.97
Dipole, Da:	7.56
IP(EA), eV:	-9.13(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-5-yl]pyridine

Drug info:

PubChemData

Smile

CCC1CC(C(=O)N2C1C(C(C(C2)F)N3CCC(C3)N)F)C(=O)O

DOS

IR

Vibrations