Geometry & MOs

Info

ID:	314323
PubChem CID:	126621359
Reduced:	O4H16C27 (1)
Stoich.:	A4B16C27 (1)
Weight, g/mol:	345.201219
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	2.0
IP(EA), eV:	-9.24(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1,3-dimethoxypropan-2-yl)-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6O5

DOS

IR

Vibrations