Geometry & MOs

Info

ID:	221423
PubChem CID:	85272970
Reduced:	BClC16H32 (1)
Stoich.:	ABC16D32 (1)
Weight, g/mol:	270.065887
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	2.22
IP(EA), eV:	-9.19(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-3-formyloxy-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

B(C(C)C(C)C)(C(C)C(C)C)C(=CCCCC)Cl

DOS

IR

Vibrations