Geometry & MOs

Info

ID:	404441
PubChem CID:	135066298
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	289.111422
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	1.99
IP(EA), eV:	-9.23(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S)-1-(4-fluorophenyl)-2-hydroxyethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1CC2CCC1C2)C3=CC=CC=C3

DOS

IR

Vibrations