Geometry & MOs

Info

ID:	136362
PubChem CID:	52028092
Reduced:	O2N3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	-34.96
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755302
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[(2R)-2-(6-chloro-1-ethylindol-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1C=CC(=C2)OC)[C@@H]3CCCN3C(=O)C[NH3+]

DOS

IR

Vibrations