Geometry & MOs

Info

ID:	153271
PubChem CID:	56312440
Reduced:	FN4O4C22H25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	479.031501
ΔH_f, kcal/mol:	-147.86
Dipole, Da:	3.47
IP(EA), eV:	-8.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4F

DOS

IR

Vibrations