Geometry & MOs

Info

ID:	372920
PubChem CID:	131307074
Reduced:	BrNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-84.02
Dipole, Da:	3.82
IP(EA), eV:	-8.82(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-aminopyrimidin-4-yl)acetate

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H](C1=C(C(=CC(=C1)Br)C)O)N)O

DOS

IR

Vibrations