Geometry & MOs

Info

ID:	296203
PubChem CID:	117560580
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	200.069811
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	3.22
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-2-ylmethylamino)pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations