Geometry & MOs

Info

ID:	53142
PubChem CID:	14709648
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	207.961333
ΔH_f, kcal/mol:	-15.55
Dipole, Da:	1.6
IP(EA), eV:	-8.18(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(trichloromethyl)cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(N(C3=CC=CC=C23)C4=CC=CC=C4)O

DOS

IR

Vibrations