Geometry & MOs

Info

ID:	377042
PubChem CID:	134223078
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-152.32
Dipole, Da:	1.62
IP(EA), eV:	-9.25(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R,4S)-3,6-dimethyl-3,4-dihydro-1H-isochromen-4-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations