Geometry & MOs

Info

ID:	73276
PubChem CID:	48417346
Reduced:	O2N4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	278.061532
ΔH_f, kcal/mol:	58.34
Dipole, Da:	4.24
IP(EA), eV:	-9.3(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(difluoromethoxy)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations