Geometry & MOs

Info

ID:	327892
PubChem CID:	126691249
Reduced:	O3N4C29H34 (1)
Stoich.:	A3B4C29D34 (1)
Weight, g/mol:	260.214016
ΔH_f, kcal/mol:	-59.08
Dipole, Da:	5.68
IP(EA), eV:	-9.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1-(2,2-dimethylpropyl)-3-ethenyl-2-methoxybenzene

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)[C@H](C=C(C)C)[C@H](CC=C)C(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations