Geometry & MOs

Info

ID:	147859
PubChem CID:	53787517
Reduced:	O5N7H47C49 (1)
Stoich.:	A5B7C47D49 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	14.68
Dipole, Da:	7.62
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(1-cyclohexylethenyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(N(C(C2)C(=O)OC)C(=O)OC)C(=O)C

DOS

IR

Vibrations