Geometry & MOs

Info

ID:	189390
PubChem CID:	77849394
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	18.98
Dipole, Da:	5.18
IP(EA), eV:	-9.0(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CN(CC2NC(=O)C3CC3)CC4=CC=NC=C4

DOS

IR

Vibrations