Geometry & MOs

Info

ID:	286927
PubChem CID:	104223550
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	207.100777
ΔH_f, kcal/mol:	-14.26
Dipole, Da:	8.2
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations