Geometry & MOs

Info

ID:	152743
PubChem CID:	56311802
Reduced:	FOSN4C24H29 (1)
Stoich.:	ABCD4E24F29 (1)
Weight, g/mol:	350.211804
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	6.84
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCCN(CC3)CC4=CC=CC=C4F)C#N

DOS

IR

Vibrations