Geometry & MOs

Info

ID:	136327
PubChem CID:	52023256
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	266.082205
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	2.46
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-2-hydroxypropyl]-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=C(C=C2C(=O)NCCO)OC=C3

DOS

IR

Vibrations