Geometry & MOs

Info

ID:	365855
PubChem CID:	127318811
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	4.5
IP(EA), eV:	-8.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations