Geometry & MOs

Info

ID:	286928
PubChem CID:	104223555
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	8.04
IP(EA), eV:	-9.07(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations