Geometry & MOs

Info

ID:	394232
PubChem CID:	135022567
Reduced:	NO3F6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-447.45
Dipole, Da:	8.59
IP(EA), eV:	-9.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-phenylspiro[3,4-dihydrochromene-2,2'-oxolane]-4-amine

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCO[C@]23C[C@@H](C(=O)O3)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations