Geometry & MOs

Info

ID:	152372
PubChem CID:	56311287
Reduced:	ClOF2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	431.237291
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	4.03
IP(EA), eV:	-8.75(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-phenylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCC(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations