Geometry & MOs

Info

ID:	154235
PubChem CID:	56313641
Reduced:	ClFON2C22H24 (1)
Stoich.:	ABCD2E22F24 (1)
Weight, g/mol:	368.226392
ΔH_f, kcal/mol:	-36.48
Dipole, Da:	4.58
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CC2C3=CC=CC=C3Cl)CC4=CC=CC=C4F

DOS

IR

Vibrations