Geometry & MOs

Info

ID:	296479
PubChem CID:	117577550
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	5.92
IP(EA), eV:	-8.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]cyanamide

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)N(C)C2CCC(CC2)C(=O)O

DOS

IR

Vibrations