Geometry & MOs

Info

ID:	296585
PubChem CID:	117585304
Reduced:	ON4C14H26 (1)
Stoich.:	AB4C14D26 (1)
Weight, g/mol:	245.073517
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	5.71
IP(EA), eV:	-8.86(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(thiophen-2-ylamino)pyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)CCCN(C)C1=NC=NC(=C1)NCCCO

DOS

IR

Vibrations