Geometry & MOs

Info

ID:	65376
PubChem CID:	29214815
Reduced:	OSN9C24H35 (1)
Stoich.:	ABC9D24E35 (1)
Weight, g/mol:	393.174022
ΔH_f, kcal/mol:	73.94
Dipole, Da:	9.39
IP(EA), eV:	-8.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(2R)-2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2N)N/N=C\C3=C(N(N=C3C)C(C)C)C

DOS

IR

Vibrations