Geometry & MOs

Info

ID:	150506
PubChem CID:	53790198
Reduced:	SN3O3C36H45 (1)
Stoich.:	AB3C3D36E45 (1)
Weight, g/mol:	186.044757
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	2.18
IP(EA), eV:	-7.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1OCCN2CCCC2)OC(C)C)NC3=CSC4=CC=CC=C43)C5=CC=C(C=C5)OCCN6CCCC6

DOS

IR

Vibrations