Geometry & MOs

Info

ID:	419999
PubChem CID:	135110672
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	365.175084
ΔH_f, kcal/mol:	5.34
Dipole, Da:	3.91
IP(EA), eV:	-9.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[3-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzamide

Drug info:

PubChemData

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C1[C@H]([C@@H](CO1)NC(=O)C2=NNN=C2)CC3=CC=NC=C3

DOS

IR

Vibrations