Geometry & MOs

Info

ID:	185175
PubChem CID:	77265582
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	8.75
IP(EA), eV:	-9.54(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[6-[carbamoyl(methyl)amino]pyridin-2-yl]pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCN(C1(CC2=CC=CC=C2)C(=O)N)C(=O)O)C

DOS

IR

Vibrations