Geometry & MOs

Info

ID:	152955
PubChem CID:	56312054
Reduced:	FON3C23H30 (1)
Stoich.:	ABC3D23E30 (1)
Weight, g/mol:	372.142011
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	3.8
IP(EA), eV:	-8.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1C)C(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations