Geometry & MOs

Info

ID:	377081
PubChem CID:	134223119
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-26.37
Dipole, Da:	2.51
IP(EA), eV:	-8.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R,4S)-3-propan-2-yl-3,4-dihydro-1H-isochromen-4-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CC=C2[C@@H](CO1)NC

DOS

IR

Vibrations