Geometry & MOs

Info

ID:	285915
PubChem CID:	104137103
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	3.4
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylcyclopentyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)N(C)CC(=O)N

DOS

IR

Vibrations