Geometry & MOs

Info

ID:	370760
PubChem CID:	127340127
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	3.62
IP(EA), eV:	-9.39(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCC(CC1)CN2C=CC=N2)NC(=O)N3CCCC3

DOS

IR

Vibrations