Geometry & MOs

Info

ID:	402589
PubChem CID:	135056487
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	203.152144
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	2.05
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R,4R)-4-hydroxypentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](C(=O)C1)[C@H]2COC3=CC=CC=C3C2=O

DOS

IR

Vibrations