Geometry & MOs

Info

ID:	286945
PubChem CID:	104223608
Reduced:	BrO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-2.28
Dipole, Da:	7.19
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[bis(2-methoxyethyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations