Geometry & MOs

Info

ID:	52409
PubChem CID:	12015266
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-102.0
Dipole, Da:	2.12
IP(EA), eV:	-8.4(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5,5,10-trimethyl-3-oxo-4H-oxepino[2,3-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=O)C(C2=C1C3=CC=CC=C3N2C)C(=O)OC)C

DOS

IR

Vibrations