Geometry & MOs

Info

ID:	197234
PubChem CID:	78939383
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	252.163791
ΔH_f, kcal/mol:	-45.38
Dipole, Da:	4.6
IP(EA), eV:	-9.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)F)N(C)CCC2=CC=CC=N2)O

DOS

IR

Vibrations