Geometry & MOs

Info

ID:	202597
PubChem CID:	79696519
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	4.52
IP(EA), eV:	-9.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNC(=O)C2=CSC(=C2)C#CCO

DOS

IR

Vibrations