Geometry & MOs

Info

ID:	317714
PubChem CID:	126645344
Reduced:	NF3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	420.241293
ΔH_f, kcal/mol:	-268.61
Dipole, Da:	8.3
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(7-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclobutane]-5-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)C(F)(F)F)C2=CC(=CC=C2)N3CCC3C(=O)O

DOS

IR

Vibrations