Geometry & MOs

Info

ID:	335767
PubChem CID:	127254629
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	790.218524
ΔH_f, kcal/mol:	60.11
Dipole, Da:	3.57
IP(EA), eV:	-9.14(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis[bis(2-chloroethyl)aminomethyl]-1,6-bis(4-butoxyphenyl)hexane-1,6-dione;dihydrochloride

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCC1=NC2=CC=CC=C2N1)N3C=NN=N3

DOS

IR

Vibrations