Geometry & MOs

Info

ID:	370630
PubChem CID:	127339786
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	3.66
IP(EA), eV:	-9.03(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3CCN(CC3)C(=O)N(CC)CC

DOS

IR

Vibrations