Geometry & MOs

Info

ID:	154228
PubChem CID:	56313634
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	467.25842
ΔH_f, kcal/mol:	-25.09
Dipole, Da:	11.36
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4F

DOS

IR

Vibrations