Geometry & MOs

Info

ID:	247143
PubChem CID:	103068133
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	27.73
Dipole, Da:	5.38
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(cyclopropylamino)methyl]prop-2-enylsulfanyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations