Geometry & MOs

Info

ID:	285907
PubChem CID:	104137084
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-97.86
Dipole, Da:	5.61
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylamino)-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC2=CC(=CC(=N2)C(C)C)C(=O)O

DOS

IR

Vibrations