Geometry & MOs

Info

ID:	346388
PubChem CID:	127270892
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-58.26
Dipole, Da:	5.49
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-methyl-1H-indazole-7-carbonyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)C(=O)N(C)C(C)C)NN=C2

DOS

IR

Vibrations