Geometry & MOs

Info

ID:	145908
PubChem CID:	53610502
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	2.29
IP(EA), eV:	-9.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC=CC=C2)S(=O)(=O)CC(=O)NC

DOS

IR

Vibrations