Geometry & MOs

Info

ID:	153307
PubChem CID:	56312487
Reduced:	FO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	437.247855
ΔH_f, kcal/mol:	-130.31
Dipole, Da:	3.9
IP(EA), eV:	-8.62(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC1C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations