Geometry & MOs

Info

ID:	286962
PubChem CID:	104223661
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-83.67
Dipole, Da:	4.0
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC(=O)N)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations