Geometry & MOs

Info

ID:	377082
PubChem CID:	134223120
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	199.08087
ΔH_f, kcal/mol:	-153.19
Dipole, Da:	1.27
IP(EA), eV:	-9.42(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(difluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations