Geometry & MOs

Info

ID:	159435
PubChem CID:	57280162
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	4.01
IP(EA), eV:	-9.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diethylamino)-2-[4-(dimethylaminocarbamoyloxy)phenyl]-2-(4-hydroxyphenyl)pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations