Geometry & MOs

Info

ID:	13987
PubChem CID:	401318
Reduced:	ON4C26H28 (1)
Stoich.:	AB4C26D28 (1)
Weight, g/mol:	412.226312
ΔH_f, kcal/mol:	64.45
Dipole, Da:	5.04
IP(EA), eV:	-8.5(-0.69)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations