Geometry & MOs

Info

ID:	286929
PubChem CID:	104223557
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	8.17
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations