Geometry & MOs

Info

ID:	205792
PubChem CID:	80157883
Reduced:	O3N5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	49.88
Dipole, Da:	8.85
IP(EA), eV:	-9.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations