Geometry & MOs

Info

ID:	247622
PubChem CID:	103072442
Reduced:	ON3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-6.25
Dipole, Da:	3.21
IP(EA), eV:	-9.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations