Geometry & MOs

Info

ID:	441099
PubChem CID:	135233115
Reduced:	NOC21H31 (1)
Stoich.:	ABC21D31 (1)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	5.45
IP(EA), eV:	-8.25(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylbutyl)-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

CCC(=C)N/C=C/CCC(C)C1=CC(=C(C(=C)C1)C(=O)CC)C

DOS

IR

Vibrations