Geometry & MOs

Info

ID:	298858
PubChem CID:	117661778
Reduced:	N2O3C28H30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	1.77
IP(EA), eV:	-8.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(pyridin-2-ylmethylamino)propanethioamide

Drug info:

PubChemData

Smile

CCCCC1=NC=CC(=C1)CN2C=C(C3=CC=CC=C32)C[C@@H](COC(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations