Geometry & MOs

Info

ID:	73019
PubChem CID:	48416815
Reduced:	SO4N5C14H15 (1)
Stoich.:	AB4C5D14E15 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	4.55
IP(EA), eV:	-9.56(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(3-methoxy-4-methylphenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations