Geometry & MOs

Info

ID:	211483
PubChem CID:	81044053
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	8.22
IP(EA), eV:	-9.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[6-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=C(C=NC=C1)/C=C/C(=O)O

DOS

IR

Vibrations