Geometry & MOs

Info

ID:	405035
PubChem CID:	135072249
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	296.108026
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	5.62
IP(EA), eV:	-9.78(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(4-chlorophenyl)-4-isocyanobutan-1-imine

Drug info:

PubChemData

Smile

CCCC[C@@]1([C@H](OC(=O)O1)C2=CCCCC2(C)C=C)C(C)(C)CC=C

DOS

IR

Vibrations