Geometry & MOs

Info

ID:	153915
PubChem CID:	56313252
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	408.166077
ΔH_f, kcal/mol:	-115.0
Dipole, Da:	1.49
IP(EA), eV:	-9.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)COC2=CC=CC(=C2)C(=O)N)CC3=CC=CC=C3F

DOS

IR

Vibrations