Geometry & MOs

Info

ID:	348862
PubChem CID:	127274510
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	6.95
IP(EA), eV:	-9.21(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-[3-(2-methyl-1,4-oxazepan-4-yl)-3-oxopropyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCCN(C2)C(=O)C3CC3

DOS

IR

Vibrations