Geometry & MOs

Info

ID:	36493
PubChem CID:	8007599
Reduced:	ClON4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	253.170474
ΔH_f, kcal/mol:	-3.05
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752734
Charge, e:	1

Chem-info

IUPAC name:

methyl-[phenyl-(2-propan-2-ylanilino)methylidene]azanium

Drug info:

PubChemData

Smile

C1C[N+](=C(N)N)CCN1CCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations