Geometry & MOs

Info

ID:	197184
PubChem CID:	78934270
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	3.22
IP(EA), eV:	-9.06(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)OCC(=O)NCC#C)O

DOS

IR

Vibrations