Geometry & MOs

Info

ID:	223364
PubChem CID:	85334917
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	39.3
Dipole, Da:	2.91
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1CN2CC1C(C2)NC(=O)C3=NC=C4N3C=CC=N4

DOS

IR

Vibrations