Geometry & MOs

Info

ID:	247621
PubChem CID:	103072441
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	2.0
Dipole, Da:	1.16
IP(EA), eV:	-9.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylaminomethyl)prop-2-enyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

C=C(CN)CN1C=NC=CC1=O

DOS

IR

Vibrations