Geometry & MOs

Info

ID:	73195
PubChem CID:	48417182
Reduced:	ClO2N5H14C15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	240.101111
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	4.55
IP(EA), eV:	-9.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3,5-dimethylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCCC(=O)N2C(=C(C=N2)C#N)N)Cl

DOS

IR

Vibrations