Geometry & MOs

Info

ID:	14378
PubChem CID:	410502
Reduced:	OCl2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	408.123215
ΔH_f, kcal/mol:	54.55
Dipole, Da:	6.34
IP(EA), eV:	-8.98(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxyphenyl]-5H-purin-6-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=NC=NC3=NC=NC32)CN(CCCl)CCCl

DOS

IR

Vibrations