Geometry & MOs

Info

ID:	407157
PubChem CID:	135079449
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	448.04356
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	3.53
IP(EA), eV:	-9.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-ditert-butyl-4-methylphenyl) 2,4-dibromobutanoate

Drug info:

PubChemData

Smile

CCC1(N(CCCO1)C(=O)/C(=C(\[O-])/OC)/[N+]#N)CC

DOS

IR

Vibrations