Geometry & MOs

Info

ID:	286933
PubChem CID:	104223564
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	-48.31
Dipole, Da:	8.97
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(2-amino-2-oxoethyl)-methylamino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)N(C)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations