Geometry & MOs

Info

ID:	381831
PubChem CID:	134972672
Reduced:	NO4C27H35 (1)
Stoich.:	AB4C27D35 (1)
Weight, g/mol:	231.058155
ΔH_f, kcal/mol:	-172.0
Dipole, Da:	3.46
IP(EA), eV:	-9.37(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-(4-chlorophenyl)-2-methylbut-3-en-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations