Geometry & MOs

Info

ID:	84214
PubChem CID:	49865047
Reduced:	FN6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	394.228123
ΔH_f, kcal/mol:	83.32
Dipole, Da:	7.36
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethyl-1,4-diazepane

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(C2=CC=C(C=C2)F)C3=NN=NN3CC4=CC=CC=C4

DOS

IR

Vibrations