Geometry & MOs

Info

ID:	59255
PubChem CID:	24775841
Reduced:	SN2O6C30H48 (1)
Stoich.:	AB2C6D30E48 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	-269.95
Dipole, Da:	8.18
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]2[C@@H](N2CCO)C[C@H](COC(=O)C[C@@H](C(C(=O)[C@@H](C[C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C

DOS

IR

Vibrations