Geometry & MOs

Info

ID:	224605
PubChem CID:	85345286
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	5.18
IP(EA), eV:	-8.34(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-1,2-diphenylethyl) but-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=CC1=CC=C(C=C1)N(C)C)Cl

DOS

IR

Vibrations