Geometry & MOs

Info

ID:	439338
PubChem CID:	135229109
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	4.79
IP(EA), eV:	-8.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-methoxypropyl)pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)C(=C)NC1=NC(=NC=C1OCCCC2=CC=C(C=C2)OC)N

DOS

IR

Vibrations