Geometry & MOs

Info

ID:	377084
PubChem CID:	134223122
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	299.1333
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	1.19
IP(EA), eV:	-9.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@H](C2=CC=CC=C2CO1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations