Geometry & MOs

Info

ID:	369543
PubChem CID:	127334565
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	1.66
IP(EA), eV:	-8.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-(2-propan-2-ylindazol-5-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C2C=C(C=CC2=N1)NC(=O)C3CCC(=O)N(C3C4=CN(N=C4)C)C

DOS

IR

Vibrations