Geometry & MOs

Info

ID:	241017
PubChem CID:	93621190
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	2.35
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(C[C@@H]2NC(=O)CN3C=CC=CC3=O)(C)C

DOS

IR

Vibrations