Geometry & MOs

Info

ID:	152375
PubChem CID:	56311290
Reduced:	FON3C23H30 (1)
Stoich.:	ABC3D23E30 (1)
Weight, g/mol:	443.073424
ΔH_f, kcal/mol:	-55.65
Dipole, Da:	2.74
IP(EA), eV:	-8.65(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations