Geometry & MOs

Info

ID:	294922
PubChem CID:	117505332
Reduced:	NSO2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-78.05
Dipole, Da:	2.29
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1OC2CCSCC2)C3(CCCC3)CN

DOS

IR

Vibrations