Geometry & MOs

Info

ID:	31045
PubChem CID:	854275
Reduced:	NSO2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	5.2
IP(EA), eV:	-8.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol

Drug info:

PubChemData

Smile

CCN(C1=CC2=CC=CC=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations