Geometry & MOs

Info

ID:	178930
PubChem CID:	76402898
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-38.82
Dipole, Da:	3.13
IP(EA), eV:	-9.13(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CCNC(=O)C3CC(CN3)N)C

DOS

IR

Vibrations