Geometry & MOs

Info

ID:	73273
PubChem CID:	48417340
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	340.083937
ΔH_f, kcal/mol:	-27.9
Dipole, Da:	7.12
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations