Geometry & MOs

Info

ID:	235112
PubChem CID:	92304057
Reduced:	ClNO3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-99.73
Dipole, Da:	4.83
IP(EA), eV:	-9.37(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)C[C@H]1C2=CC=CC=C2Cl)CC3=CC=CC=C3)C

DOS

IR

Vibrations