Geometry & MOs

Info

ID:	14709
PubChem CID:	418674
Reduced:	OCl2N7C15H21 (1)
Stoich.:	AB2C7D15E21 (1)
Weight, g/mol:	385.118464
ΔH_f, kcal/mol:	76.8
Dipole, Da:	4.54
IP(EA), eV:	-7.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[[4-[bis(2-chloroethyl)amino]-3-ethoxyphenyl]methylideneamino]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NNC2=NN=CN2N)N(CCCl)CCCl

DOS

IR

Vibrations