Geometry & MOs

Info

ID:	306662
PubChem CID:	125165213
Reduced:	FN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-106.54
Dipole, Da:	4.11
IP(EA), eV:	-8.81(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CC[C@@](C2)(C3=CC=CC=C3C)O)F

DOS

IR

Vibrations