Geometry & MOs

Info

ID:	153310
PubChem CID:	56312491
Reduced:	OF2N4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	380.05357
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	2.74
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromofuran-3-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations