Geometry & MOs

Info

ID:	330529
PubChem CID:	127247936
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	337.18017
ΔH_f, kcal/mol:	-147.93
Dipole, Da:	7.59
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[2-(4-fluorophenoxy)ethyl]-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)CC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations