Geometry & MOs

Info

ID:	152476
PubChem CID:	56311412
Reduced:	N3O3C29H33 (1)
Stoich.:	A3B3C29D33 (1)
Weight, g/mol:	358.205656
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	3.27
IP(EA), eV:	-8.42(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-4-[2-(2-methoxyphenoxy)ethyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations