Geometry & MOs

Info

ID:	126567
PubChem CID:	50968181
Reduced:	OSN2C15H26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	2.91
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-dimethyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(CCN(C)C)CC2CCOC2

DOS

IR

Vibrations