Geometry & MOs

Info

ID:	152478
PubChem CID:	56311414
Reduced:	FN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	452.258754
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	6.26
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCOC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations