Geometry & MOs

Info

ID:	10897
PubChem CID:	108751
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	4.77
IP(EA), eV:	-8.94(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]methanol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1CO)OC)CC2=CN=C(N=C2N)N

DOS

IR

Vibrations