Geometry & MOs

Info

ID:	346803
PubChem CID:	127271307
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	2.17
IP(EA), eV:	-9.19(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(C1)C3CC2CC3NC(=O)NCC(=O)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations