Geometry & MOs

Info

ID:	14687
PubChem CID:	417733
Reduced:	Cl3N3O4C32H40 (1)
Stoich.:	A3B3C4D32E40 (1)
Weight, g/mol:	635.20844
ΔH_f, kcal/mol:	-99.55
Dipole, Da:	4.62
IP(EA), eV:	-8.1(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations