Geometry & MOs

Info

ID:	285913
PubChem CID:	104137093
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	5.22
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpentan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations