Geometry & MOs

Info

ID:	307404
PubChem CID:	125299807
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	294.198365
ΔH_f, kcal/mol:	-3.49
Dipole, Da:	7.06
IP(EA), eV:	-8.6(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis[(4-methylphenyl)methyl]pent-4-en-1-ol

Drug info:

PubChemData

Smile

CN1[C@@H](N=C2C3=CC=CC=C3N=C2C1=O)SCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations