Geometry & MOs

Info

ID:	66141
PubChem CID:	46499959
Reduced:	NOC19H28 (1)
Stoich.:	ABC19D28 (1)
Weight, g/mol:	236.084217
ΔH_f, kcal/mol:	29.85
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107360
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl]-dimethyl-prop-2-ynylazanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC#CC1=CC=CC=C1)CC(=O)C(C)(C)C

DOS

IR

Vibrations