Geometry & MOs

Info

ID:	380957
PubChem CID:	134971568
Reduced:	ClNOC27H27 (1)
Stoich.:	ABCD27E27 (1)
Weight, g/mol:	316.157563
ΔH_f, kcal/mol:	20.08
Dipole, Da:	2.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.076429
Charge, e:	2

Chem-info

IUPAC name:

[(2R)-2-azaniumyl-2-phenylacetyl]-benzylidene-phenylazanium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[N+](=CC2=CC=CC=C2)C(=O)C3(CCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations