Geometry & MOs

Info

ID:	439285
PubChem CID:	135229052
Reduced:	O4N7H19C26 (1)
Stoich.:	A4B7C19D26 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	5.26
Dipole, Da:	10.56
IP(EA), eV:	-9.18(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-1-hydroxyhexan-3-yl]amino]-2-(prop-1-en-2-ylamino)pyrimidin-5-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)N6

DOS

IR

Vibrations