Geometry & MOs

Info

ID:	73272
PubChem CID:	48417334
Reduced:	BrON4H7C11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	68.59
Dipole, Da:	3.63
IP(EA), eV:	-9.48(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-butoxy-3-methoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations