Geometry & MOs

Info

ID:	73181
PubChem CID:	48417156
Reduced:	O3N4H8C14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	5.9
Dipole, Da:	7.73
IP(EA), eV:	-9.44(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations