Geometry & MOs

Info

ID:	370628
PubChem CID:	127339781
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	6.91
Dipole, Da:	5.46
IP(EA), eV:	-8.88(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-tert-butyl-1H-indol-2-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C(C)N3C(=CC(=N3)C)C

DOS

IR

Vibrations