Geometry & MOs

Info

ID:	370382
PubChem CID:	127338409
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-146.49
Dipole, Da:	5.94
IP(EA), eV:	-8.54(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC2=C(CCCCC2)NC1=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations