Geometry & MOs

Info

ID:	370570
PubChem CID:	127339705
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	2.05
Dipole, Da:	5.06
IP(EA), eV:	-8.95(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)CC(=O)N2CCC(CC2)C3=CN(N=C3)C)C

DOS

IR

Vibrations