Geometry & MOs

Info

ID:	152576
PubChem CID:	56311542
Reduced:	FO4N5C21H28 (1)
Stoich.:	AB4C5D21E28 (1)
Weight, g/mol:	433.156848
ΔH_f, kcal/mol:	-179.7
Dipole, Da:	7.08
IP(EA), eV:	-9.02(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

COCCN1C(=C(C(=O)NC1=O)C(=O)CN2CCCN(CC2)CC3=CC=CC=C3F)N

DOS

IR

Vibrations