Geometry & MOs

Info

ID:	224604
PubChem CID:	85345284
Reduced:	ClNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-40.49
Dipole, Da:	3.62
IP(EA), eV:	-8.67(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-chloro-3-[4-(dimethylamino)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CSC(=CCCN1C(=O)C2=CC=CC=C2C1=O)Cl

DOS

IR

Vibrations