Geometry & MOs

Info

ID:	382982
PubChem CID:	134974443
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	186.103122
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	4.14
IP(EA), eV:	-8.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2-phenylethynyl)-2,3-dihydro-1H-imidazol-1-ium-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(N2CCC[C@]23[C@H]1CC(=O)C=C3)C

DOS

IR

Vibrations