Geometry & MOs

Info

ID:	439289
PubChem CID:	135229057
Reduced:	O4N8H18C25 (1)
Stoich.:	A4B8C18D25 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	20.55
Dipole, Da:	11.62
IP(EA), eV:	-9.01(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=C4C=CC=NC4=C(C=C3)OC5=C6C(=NC=C5)NC(=O)N6

DOS

IR

Vibrations