Geometry & MOs

Info

ID:	14707
PubChem CID:	418639
Reduced:	O2Cl3N3C30H36 (1)
Stoich.:	A2B3C3D30E36 (1)
Weight, g/mol:	575.18731
ΔH_f, kcal/mol:	-29.8
Dipole, Da:	1.92
IP(EA), eV:	-8.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-3-chloro-N,N-bis(2-chloroethyl)aniline

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CCCN(C2C3=C(C=C(C=C3)N(CCCl)CCCl)Cl)CC4=CC=CC=C4OC

DOS

IR

Vibrations