Geometry & MOs

Info

ID:	276014
PubChem CID:	103819920
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	287.06332
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	6.92
IP(EA), eV:	-9.61(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-methoxy-N-(3-methylpentan-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)C1=NN(C=C1)C)O

DOS

IR

Vibrations