Geometry & MOs

Info

ID:	73108
PubChem CID:	48417002
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	288.041403
ΔH_f, kcal/mol:	-52.55
Dipole, Da:	8.8
IP(EA), eV:	-9.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations