Geometry & MOs

Info

ID:	151836
PubChem CID:	56310650
Reduced:	FON3C25H32 (1)
Stoich.:	ABC3D25E32 (1)
Weight, g/mol:	361.252941
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	3.12
IP(EA), eV:	-8.83(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpiperidin-1-yl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(C1)(CNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations