Geometry & MOs

Info

ID:	245450
PubChem CID:	99444931
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	50.48
Dipole, Da:	6.7
IP(EA), eV:	-9.73(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-methyl-N-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

DOS

IR

Vibrations