Geometry & MOs

Info

ID:	405036
PubChem CID:	135072250
Reduced:	ClN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	340.05751
ΔH_f, kcal/mol:	96.78
Dipole, Da:	3.45
IP(EA), eV:	-9.39(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[C-]#[N+]CCCC(=NCC1=CC=CC=C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations