Geometry & MOs

Info

ID:	346441
PubChem CID:	127270945
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	2.67
Dipole, Da:	7.82
IP(EA), eV:	-8.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)C4=CNC5=C4C=C(C=C5)OC)NN=C2

DOS

IR

Vibrations