Geometry & MOs

Info

ID:	439296
PubChem CID:	135229064
Reduced:	O5N8H20C26 (1)
Stoich.:	A5B8C20D26 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	11.48
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-methyl-5-(pyridin-3-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=NC=NC6=C5NC(=O)N6

DOS

IR

Vibrations