Geometry & MOs

Info

ID:	153299
PubChem CID:	56312478
Reduced:	N2F3O4C22H31 (1)
Stoich.:	A2B3C4D22E31 (1)
Weight, g/mol:	380.190006
ΔH_f, kcal/mol:	-339.77
Dipole, Da:	2.4
IP(EA), eV:	-9.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,7-dimethyl-1-benzofuran-2-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations