Geometry & MOs

Info

ID:	289275
PubChem CID:	104343181
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	281.148789
ΔH_f, kcal/mol:	6.88
Dipole, Da:	2.31
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]morpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)NC2=NC(=NC(=C2)NC)COC

DOS

IR

Vibrations