Geometry & MOs

Info

ID:	73209
PubChem CID:	48417206
Reduced:	N2O2C8H9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	-64.4
Dipole, Da:	3.14
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations