Geometry & MOs

Info

ID:	151942
PubChem CID:	56310775
Reduced:	FON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	7.49
Dipole, Da:	2.27
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-cyanoethyl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CC3=CC=CC=C3OC4=CN=CC=C4

DOS

IR

Vibrations