Geometry & MOs

Info

ID:	247620
PubChem CID:	103072436
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	165.090212
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	1.82
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations