Geometry & MOs

Info

ID:	361733
PubChem CID:	127304549
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	4.86
IP(EA), eV:	-8.9(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-tert-butyl-1H-indol-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)COC3CCCC3)C

DOS

IR

Vibrations