Geometry & MOs

Info

ID:	403904
PubChem CID:	135062502
Reduced:	NSiO4C23H37 (1)
Stoich.:	ABC4D23E37 (1)
Weight, g/mol:	176.121258
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	2.18
IP(EA), eV:	-8.8(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R,2S,3R)-2-fluoro-3-methoxycyclopropyl]pentan-1-ol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C(C2=CCCO2)N(CC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations