Geometry & MOs

Info

ID:	307283
PubChem CID:	125299337
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	3.3
IP(EA), eV:	-8.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-(4-methoxyphenyl)-2,5-dimethyl-6-(3-methylbutyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NN2C(=O)[C@H]1CCC(C)C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations