Geometry & MOs

Info

ID:	311995
PubChem CID:	126600711
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	356.150285
ΔH_f, kcal/mol:	-175.74
Dipole, Da:	4.75
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)(C)C)C2=NC3=C(CCOCC3)C(=C2)C(=O)O)C

DOS

IR

Vibrations