Geometry & MOs

Info

ID:	361736
PubChem CID:	127304552
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-121.53
Dipole, Da:	3.31
IP(EA), eV:	-8.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CSCC(=O)N3CCCCC3)C

DOS

IR

Vibrations