Geometry & MOs

Info

ID:	405015
PubChem CID:	135072129
Reduced:	N2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	107.19
Dipole, Da:	2.78
IP(EA), eV:	-9.04(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-isocyano-1-phenylbutan-1-imine

Drug info:

PubChemData

Smile

[C-]#[N+]CCCC(=NC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations