Geometry & MOs

Info

ID:	362772
PubChem CID:	127309320
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	338.177647
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	2.5
IP(EA), eV:	-8.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(thian-4-yl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NCC3(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations