Geometry & MOs

Info

ID:	285917
PubChem CID:	104137378
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	4.86
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylmorpholin-4-yl)-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations