Geometry & MOs

Info

ID:	210381
PubChem CID:	80797457
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	255.133139
ΔH_f, kcal/mol:	0.9
Dipole, Da:	4.26
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,4-dioxan-2-ylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1N(CCO)CC2=CC=CC=C2)N

DOS

IR

Vibrations