Geometry & MOs

Info

ID:	152957
PubChem CID:	56312056
Reduced:	FO2N4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	467.08699
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	4.48
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations