Geometry & MOs

Info

ID:	152953
PubChem CID:	56312052
Reduced:	OF3N3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	424.26384
ΔH_f, kcal/mol:	-142.28
Dipole, Da:	4.64
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NCCC2=C(C=CC=C2F)F)CC3=CC=CC=C3F

DOS

IR

Vibrations