Geometry & MOs

Info

ID:	286954
PubChem CID:	104223635
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	4.56
IP(EA), eV:	-9.28(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations