Geometry & MOs

Info

ID:	370403
PubChem CID:	127338459
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	7.94
IP(EA), eV:	-8.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC(=O)C(=C2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations