Geometry & MOs

Info

ID:	286926
PubChem CID:	104223549
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	8.39
IP(EA), eV:	-8.99(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[methyl-[(4-methylphenyl)methyl]amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations