Geometry & MOs

Info

ID:	297255
PubChem CID:	117614184
Reduced:	SO3N5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	-25.91
Dipole, Da:	5.87
IP(EA), eV:	-9.0(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[3-[4-(aminomethyl)anilino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=CC=NC3=O)N(N2)[C@@H]4CCCCC[C@@H]4C#N

DOS

IR

Vibrations