Geometry & MOs

Info

ID:	442039
PubChem CID:	135248311
Reduced:	ClC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	205.107834
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	2.41
IP(EA), eV:	-9.5(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine

Drug info:

PubChemData

Smile

CC/C=C(\CCC(C)CC)/Cl

DOS

IR

Vibrations