Geometry & MOs

Info

ID:	154023
PubChem CID:	56313383
Reduced:	FSN4O4C23H27 (1)
Stoich.:	ABC4D4E23F27 (1)
Weight, g/mol:	366.210742
ΔH_f, kcal/mol:	-151.61
Dipole, Da:	5.48
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)CC4=CC=CC=C4F

DOS

IR

Vibrations