Geometry & MOs

Info

ID:	346505
PubChem CID:	127271009
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	3.77
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methoxyphenyl)piperidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCN(C2)C(=O)C3=CC(=CC4=C3NN=C4)C

DOS

IR

Vibrations