Geometry & MOs

Info

ID:	436750
PubChem CID:	135210464
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	1.31
IP(EA), eV:	-8.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC(=CC(=N2)C=C)C(=O)OC

DOS

IR

Vibrations