Geometry & MOs

Info

ID:	126235
PubChem CID:	50956288
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	12.47
IP(EA), eV:	-9.4(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl-[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)NCCNC(=O)C(C)(C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations