Geometry & MOs

Info

ID:	395665
PubChem CID:	135026191
Reduced:	BrN2O5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	280.182715
ΔH_f, kcal/mol:	-222.19
Dipole, Da:	1.28
IP(EA), eV:	-9.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-5-methylhex-2-enyl]-4-phenylmethoxybenzene

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](NC(=O)CCC(=O)OC)NC(=O)OCC1=CC=CC=C1)Br

DOS

IR

Vibrations