Geometry & MOs

Info

ID:	18298
PubChem CID:	539483
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-152.61
Dipole, Da:	1.94
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-(acetyloxymethyl)furan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2=C(C(N1)C3=CC=C(O3)COC(=O)C)NC4=CC=CC=C24

DOS

IR

Vibrations