Geometry & MOs

Info

ID:	242743
PubChem CID:	99205974
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	396.082702
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	6.55
IP(EA), eV:	-8.37(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N2CCCC2)C(=O)C3=CC=C(C=C3)N4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations