Geometry & MOs

Info

ID:	424479
PubChem CID:	135122839
Reduced:	ON7C25H30 (1)
Stoich.:	AB7C25D30 (1)
Weight, g/mol:	288.081448
ΔH_f, kcal/mol:	67.81
Dipole, Da:	1.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892695
Charge, e:	0

Chem-info

IUPAC name:

11,12,12-trichlorododecan-1-ol

Drug info:

PubChemData

Smile

C[N+]1=CN(C=C1)CCCNC2=CC=C(C=C2)NC3=CC(=C(C=C3N)N)NC4=CC=C(C=C4)O

DOS

IR

Vibrations