Geometry & MOs

Info

ID:	431250
PubChem CID:	135171321
Reduced:	ClOSC6H7 (1)
Stoich.:	ABCD6E7 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-34.53
Dipole, Da:	4.71
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=C(SC1)C=O)Cl

DOS

IR

Vibrations