Geometry & MOs

Info

ID:	152166
PubChem CID:	56311035
Reduced:	FO2N6C23H31 (1)
Stoich.:	AB2C6D23E31 (1)
Weight, g/mol:	455.18429
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	6.58
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCN(CC3)CC4=CC=CC=C4F)C

DOS

IR

Vibrations