Geometry & MOs

Info

ID:	152578
PubChem CID:	56311544
Reduced:	FO2N3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	391.205991
ΔH_f, kcal/mol:	-90.19
Dipole, Da:	2.71
IP(EA), eV:	-8.81(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations