Geometry & MOs

Info

ID:	258841
PubChem CID:	103157215
Reduced:	NOBr3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	321.045397
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	2.05
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2,4,6-trichloroanilino)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C=C(C=C2Br)Br)Br)O

DOS

IR

Vibrations