Geometry & MOs

Info

ID:	376148
PubChem CID:	134222151
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	367.028
ΔH_f, kcal/mol:	21.48
Dipole, Da:	3.58
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-2-[3-(4-amino-2-oxopyrimidin-1-yl)-5-bromopyridin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=O)CNC2=CC=CC=N2

DOS

IR

Vibrations