Geometry & MOs

Info

ID:	329231
PubChem CID:	126732753
Reduced:	IN2C3H5 (1)
Stoich.:	AB2C3D5 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	51.85
Dipole, Da:	3.58
IP(EA), eV:	-8.77(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxypropyl)-2-methylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(N=C1)I

DOS

IR

Vibrations