Geometry & MOs

Info

ID:	358596
PubChem CID:	127296355
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	2.87
IP(EA), eV:	-9.17(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)CC(=O)N3CCN(CC3)C(=O)CN4C(=O)CCC4=O

DOS

IR

Vibrations