Geometry & MOs

Info

ID:	364232
PubChem CID:	127314536
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	2.82
IP(EA), eV:	-9.18(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2(CCCC2)O)C

DOS

IR

Vibrations