Geometry & MOs

Info

ID:	294924
PubChem CID:	117505496
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-35.9
Dipole, Da:	5.21
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1C3=C(N(N=C3)C)N)Cl)OCCCO2

DOS

IR

Vibrations