Geometry & MOs

Info

ID:	64902
PubChem CID:	29204172
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	28.58
Dipole, Da:	4.87
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-carbamoylthiophen-2-yl)-N-(pyridin-2-ylmethyl)butanediamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations