Geometry & MOs

Info

ID:	324465
PubChem CID:	126677722
Reduced:	PN3O5C15H32 (1)
Stoich.:	AB3C5D15E32 (1)
Weight, g/mol:	410.243024
ΔH_f, kcal/mol:	-306.43
Dipole, Da:	6.89
IP(EA), eV:	-9.01(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethylazepan-1-yl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C)(COC(C)(C)C(=O)N1CCN(CC1)P(=O)(N(C)C)OC)O

DOS

IR

Vibrations