Geometry & MOs

Info

ID:	361728
PubChem CID:	127304543
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	8.02
IP(EA), eV:	-8.94(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloroindol-1-yl)-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3CCCN(C3)C(=O)C(C)(C)C)C

DOS

IR

Vibrations