Geometry & MOs

Info

ID:	183842
PubChem CID:	77078031
Reduced:	FN3O6C25H26 (1)
Stoich.:	AB3C6D25E26 (1)
Weight, g/mol:	328.159849
ΔH_f, kcal/mol:	-265.1
Dipole, Da:	2.99
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CCC1CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)O)F

DOS

IR

Vibrations