Geometry & MOs

Info

ID:	13986
PubChem CID:	401317
Reduced:	ClON4C26H29 (1)
Stoich.:	ABC4D26E29 (1)
Weight, g/mol:	448.202989
ΔH_f, kcal/mol:	31.13
Dipole, Da:	5.29
IP(EA), eV:	-8.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)phenyl]furan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine;hydrochloride

Drug info:

PubChemData

Smile

C1CCN=C(NC1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C5=NCCCCN5.Cl

DOS

IR

Vibrations