Geometry & MOs

Info

ID:	62682
PubChem CID:	26736140
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	3.53
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) 4-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCC(=O)OC2=CC=CC=C2C#N)Cl

DOS

IR

Vibrations