Geometry & MOs

Info

ID:	289167
PubChem CID:	104338163
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	7.53
Dipole, Da:	6.37
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)C2=CC(=CC=C2)Br)COCC

DOS

IR

Vibrations