Geometry & MOs

Info

ID:	151598
PubChem CID:	55161597
Reduced:	ClOF2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	1.71
IP(EA), eV:	-9.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)F)F)O)Cl

DOS

IR

Vibrations