Geometry & MOs

Info

ID:	344268
PubChem CID:	127267444
Reduced:	OSN4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	38.88
Dipole, Da:	2.93
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-4,5-dimethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)N3CCC(C3)C4=NC=CN4

DOS

IR

Vibrations