Geometry & MOs

Info

ID:	307485
PubChem CID:	125307130
Reduced:	CHN (4)
Stoich.:	ABC (4)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	90.33
Dipole, Da:	8.28
IP(EA), eV:	-9.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,9aR)-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(=C(N=N1)C#N)N

DOS

IR

Vibrations