Geometry & MOs

Info

ID:	361724
PubChem CID:	127304539
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-58.25
Dipole, Da:	6.69
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethyl-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)C3=C(N=C4C=C(C=CC4=C3)OC)C)C

DOS

IR

Vibrations