Geometry & MOs

Info

ID:	286970
PubChem CID:	104223703
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	8.91
IP(EA), eV:	-8.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N,3-dimethylanilino)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations