Geometry & MOs

Info

ID:	154568
PubChem CID:	56314033
Reduced:	ClFN2O3C22H24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	379.205991
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	3.43
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CC2=CC3=C(C(=C2)Cl)OCCO3)CC4=CC=CC=C4F

DOS

IR

Vibrations