Geometry & MOs

Info

ID:	187276
PubChem CID:	77553859
Reduced:	ClNSO5C16H20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	493.227789
ΔH_f, kcal/mol:	-205.91
Dipole, Da:	12.57
IP(EA), eV:	-9.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-2-ylethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)N3CCOCC3)Cl

DOS

IR

Vibrations