Geometry & MOs

Info

ID:	152267
PubChem CID:	56311162
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	355.205991
ΔH_f, kcal/mol:	-124.55
Dipole, Da:	4.42
IP(EA), eV:	-8.98(-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-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations