Geometry & MOs

Info

ID:	210946
PubChem CID:	80876256
Reduced:	N3O4C11H17 (1)
Stoich.:	A3B4C11D17 (1)
Weight, g/mol:	275.02694
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	7.54
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2-propoxyethoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCOCCOC1=C(C=CC(=N1)NC)[N+](=O)[O-]

DOS

IR

Vibrations