Geometry & MOs

Info

ID:	286932
PubChem CID:	104223563
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-47.29
Dipole, Da:	8.57
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations