Geometry & MOs

Info

ID:	152477
PubChem CID:	56311413
Reduced:	FN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	373.18017
ΔH_f, kcal/mol:	-69.84
Dipole, Da:	2.05
IP(EA), eV:	-8.37(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-4-[2-(2-nitrophenoxy)ethyl]-1,4-diazepane

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations