Geometry & MOs

Info

ID:	75070
PubChem CID:	48422944
Reduced:	ClFN2O2C18H24 (1)
Stoich.:	ABC2D2E18F24 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-106.36
Dipole, Da:	2.65
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=C(C=CC=C2Cl)F)OCC3CC3

DOS

IR

Vibrations