Geometry & MOs

Info

ID:	148245
PubChem CID:	53787907
Reduced:	O6C27H28 (1)
Stoich.:	A6B27C28 (1)
Weight, g/mol:	257.001034
ΔH_f, kcal/mol:	-137.1
Dipole, Da:	5.27
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chlorobut-1-ynyl N-(3-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC(=C)C(=O)C(=O)COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(=O)C(=O)C(=C)C

DOS

IR

Vibrations