Geometry & MOs

Info

ID:	260215
PubChem CID:	103184939
Reduced:	NO3C11H23 (1)
Stoich.:	AB3C11D23 (1)
Weight, g/mol:	272.117922
ΔH_f, kcal/mol:	-149.4
Dipole, Da:	3.97
IP(EA), eV:	-9.2(1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-ol

Drug info:

PubChemData

Smile

COCCCOCCC1(CCNC1)CO

DOS

IR

Vibrations