Geometry & MOs

Info

ID:	138401
PubChem CID:	52360438
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	3.55
IP(EA), eV:	-8.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C)N2CCO[C@@H](C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations