Geometry & MOs

Info

ID:	225139
PubChem CID:	85741933
Reduced:	INO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	219.058155
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	6.12
IP(EA), eV:	-8.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-N-ethyl-N-methylaniline;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CCC(=O)O.[I-]

DOS

IR

Vibrations