Geometry & MOs

Info

ID:	258790
PubChem CID:	103157025
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	321.045397
ΔH_f, kcal/mol:	-124.99
Dipole, Da:	5.11
IP(EA), eV:	-8.15(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2,4,5-trichloroanilino)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC3=C(C=C2)OCCCO3)O

DOS

IR

Vibrations