Geometry & MOs

Info

ID:	59434
PubChem CID:	24865451
Reduced:	N2F3O4H25C27 (1)
Stoich.:	A2B3C4D25E27 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	-282.95
Dipole, Da:	8.96
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine-8-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](C1)C(=O)O)[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)O

DOS

IR

Vibrations