Geometry & MOs

Info

ID:	357682
PubChem CID:	127294356
Reduced:	O2N6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	4.46
IP(EA), eV:	-8.65(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC(=O)CN2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations