Geometry & MOs

Info

ID:	370402
PubChem CID:	127338458
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-113.41
Dipole, Da:	3.43
IP(EA), eV:	-8.9(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=NC4=C(C(=C3)C)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations