Geometry & MOs

Info

ID:	230112
PubChem CID:	87570241
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	307.158372
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	5.0
IP(EA), eV:	-9.57(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](CC(C1CO1)NC(=O)O)COCC2=CC=CC=C2

DOS

IR

Vibrations