Geometry & MOs

Info

ID:	330572
PubChem CID:	127247979
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	337.216555
ΔH_f, kcal/mol:	-95.37
Dipole, Da:	7.05
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-fluorophenoxy)propyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)CC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations