Geometry & MOs

Info

ID:	79354
PubChem CID:	49748197
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	6.97
IP(EA), eV:	-8.19(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC(=C2)NC(=O)/C=C/C4=CC=CO4)CC(=O)N3C1

DOS

IR

Vibrations