Geometry & MOs

Info

ID:	56399
PubChem CID:	17425320
Reduced:	N3O5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	277.150036
ΔH_f, kcal/mol:	-172.13
Dipole, Da:	4.65
IP(EA), eV:	-9.41(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NNC(=O)C2=C(OC=C2)C)C

DOS

IR

Vibrations