Geometry & MOs

Info

ID:	25637
PubChem CID:	627684
Reduced:	N2O5H12C19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	364.105922
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	7.34
IP(EA), eV:	-9.2(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(=O)OC12C3=CC=CC=C3NC2=O)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations