Geometry & MOs

Info

ID:	286900
PubChem CID:	104223432
Reduced:	BrO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	34.8
Dipole, Da:	6.24
IP(EA), eV:	-9.93(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-methylpyridin-3-yl)oxypyrimidin-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=NC=C(C=N2)CN)[N+](=O)[O-])Br

DOS

IR

Vibrations