Geometry & MOs

Info

ID:	151837
PubChem CID:	56310651
Reduced:	FON3C21H32 (1)
Stoich.:	ABC3D21E32 (1)
Weight, g/mol:	385.216555
ΔH_f, kcal/mol:	-86.85
Dipole, Da:	4.85
IP(EA), eV:	-8.53(0.25)
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-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations