Geometry & MOs

Info

ID:	363172
PubChem CID:	127310211
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	5.84
IP(EA), eV:	-8.96(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1H-indol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3CC3C4=CC(=CC=C4)OC

DOS

IR

Vibrations