Geometry & MOs

Info

ID:	294276
PubChem CID:	117448694
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	4.33
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)C(CC(=O)O)N)Cl

DOS

IR

Vibrations