Geometry & MOs

Info

ID:	152370
PubChem CID:	56311285
Reduced:	FN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	417.221641
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	4.02
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OCCN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations