Geometry & MOs

Info

ID:	346520
PubChem CID:	127271024
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	369.124405
ΔH_f, kcal/mol:	-58.44
Dipole, Da:	2.76
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C(=O)CC4CCCCC4)NN=C2

DOS

IR

Vibrations