Geometry & MOs

Info

ID:	73229
PubChem CID:	48417240
Reduced:	SO4N6H14C15 (1)
Stoich.:	AB4C6D14E15 (1)
Weight, g/mol:	318.111676
ΔH_f, kcal/mol:	-45.85
Dipole, Da:	5.02
IP(EA), eV:	-9.6(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-phenylmethoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations