Geometry & MOs

Info

ID:	73288
PubChem CID:	48417372
Reduced:	ON6H14C16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	375.100125
ΔH_f, kcal/mol:	95.02
Dipole, Da:	6.54
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations