Geometry & MOs

Info

ID:	153273
PubChem CID:	56312442
Reduced:	FON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	369.221641
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	3.51
IP(EA), eV:	-8.85(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations