Geometry & MOs

Info

ID:	152162
PubChem CID:	56311031
Reduced:	FN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	382.05146
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	2.03
IP(EA), eV:	-8.41(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromothiophen-2-yl)methyl]-4-[(2-fluorophenyl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations