Geometry & MOs

Info

ID:	197185
PubChem CID:	78934271
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	306.102272
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	2.81
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)OCC2=CN=CC=C2)O

DOS

IR

Vibrations