Geometry & MOs

Info

ID:	208851
PubChem CID:	80594825
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-26.81
Dipole, Da:	4.59
IP(EA), eV:	-8.93(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-phenylethyl)thiane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3(CC3)C(=NO)N

DOS

IR

Vibrations