Geometry & MOs

Info

ID:	361865
PubChem CID:	127304859
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	4.45
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCCC3CN4CCOCC4)C

DOS

IR

Vibrations