Geometry & MOs

Info

ID:	126755
PubChem CID:	50976888
Reduced:	N7H19C20 (1)
Stoich.:	A7B19C20 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	171.09
Dipole, Da:	3.82
IP(EA), eV:	-9.32(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NC(=N2)C3CC3)C4=NC(=CC=C4)N5C=NN=C5)C

DOS

IR

Vibrations