Geometry & MOs

Info

ID:	14706
PubChem CID:	418631
Reduced:	FCl2N3O4C32H40 (1)
Stoich.:	AB2C3D4E32F40 (1)
Weight, g/mol:	619.23799
ΔH_f, kcal/mol:	-153.39
Dipole, Da:	4.41
IP(EA), eV:	-8.02(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,3-bis[(2,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-fluoroaniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2CCCN(C2C3=C(C=C(C=C3)N(CCCl)CCCl)F)CC4=C(C=C(C=C4)OC)OC)OC

DOS

IR

Vibrations