Geometry & MOs

Info

ID:	288717
PubChem CID:	104324262
Reduced:	ClINH9C11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	44.43
Dipole, Da:	2.91
IP(EA), eV:	-9.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(1H-indol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=CC(=C2Cl)I)C

DOS

IR

Vibrations