Geometry & MOs

Info

ID:	286914
PubChem CID:	104223518
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	19.02
Dipole, Da:	7.85
IP(EA), eV:	-9.54(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(3-carbamoylpiperidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations