Geometry & MOs

Info

ID:	285906
PubChem CID:	104136955
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	4.6
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylcyclohexyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)NCC2=CC=NC=C2

DOS

IR

Vibrations