Geometry & MOs

Info

ID:	370430
PubChem CID:	127338652
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-192.84
Dipole, Da:	8.78
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC2=C(CCCN2C(=O)COC3CCOCC3)C=C1

DOS

IR

Vibrations