Geometry & MOs

Info

ID:	405731
PubChem CID:	135075186
Reduced:	O5C15H16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	424.191756
ΔH_f, kcal/mol:	-134.41
Dipole, Da:	4.88
IP(EA), eV:	-8.67(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-chlorophenyl)-N-(5,5-dimethyl-4-phenyliminohex-2-ynyl)carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=C/C=O)/C=C/C(=O)OC)OC

DOS

IR

Vibrations