Geometry & MOs

Info

ID:	70187
PubChem CID:	47211584
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-23.13
Dipole, Da:	2.35
IP(EA), eV:	-9.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=O)N(C=C1)CC(=O)NCCNC2=NC=CC=N2

DOS

IR

Vibrations