Geometry & MOs

Info

ID:	286971
PubChem CID:	104223706
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-8.23
Dipole, Da:	8.32
IP(EA), eV:	-8.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations