Geometry & MOs

Info

ID:	151835
PubChem CID:	56310649
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	409.252941
ΔH_f, kcal/mol:	-113.13
Dipole, Da:	2.67
IP(EA), eV:	-8.88(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations