Geometry & MOs

Info

ID:	305427
PubChem CID:	124807203
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	4.05
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylfuran-3-yl)-[(7S)-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)N2CC3(C2)[C@H](CCO3)COCC4=CSC(=N4)C

DOS

IR

Vibrations