Geometry & MOs

Info

ID:	73284
PubChem CID:	48417365
Reduced:	ON4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	73.3
Dipole, Da:	4.62
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations