Geometry & MOs

Info

ID:	395766
PubChem CID:	135026480
Reduced:	NO3C29H35 (1)
Stoich.:	AB3C29D35 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	1.12
IP(EA), eV:	-9.08(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,4-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-4,7-dihydro-1H-pyrazolo[3,4-c]pyridin-5-one

Drug info:

PubChemData

Smile

CCC[C@H]1[C@@H]([C@H]([C@@H](N1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations