Geometry & MOs

Info

ID:	14578
PubChem CID:	415249
Reduced:	OCl2N2C24H24 (1)
Stoich.:	AB2C2D24E24 (1)
Weight, g/mol:	426.126569
ΔH_f, kcal/mol:	15.81
Dipole, Da:	6.04
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]phenol

Drug info:

PubChemData

Smile

C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations