Geometry & MOs

Info

ID:	351983
PubChem CID:	127282901
Reduced:	O2N6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	294.151433
ΔH_f, kcal/mol:	-69.62
Dipole, Da:	4.83
IP(EA), eV:	-9.05(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCCC3=CN(N=C3)C

DOS

IR

Vibrations