Geometry & MOs

Info

ID:	418010
PubChem CID:	135103310
Reduced:	NO3F4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	350.13972
ΔH_f, kcal/mol:	-345.47
Dipole, Da:	5.05
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=C(C=CC(=C3)C(F)(F)F)F)O

DOS

IR

Vibrations