Geometry & MOs

Info

ID:	425842
PubChem CID:	135128263
Reduced:	SO2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-9.01
Dipole, Da:	1.14
IP(EA), eV:	-8.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-morpholin-4-ylphenyl)pyrazol-4-amine

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC(=NC3=C2SC=C3)NC4=CN(N=C4)CCO)O

DOS

IR

Vibrations