Geometry & MOs

Info

ID:	363087
PubChem CID:	127310118
Reduced:	BrO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	16.34
Dipole, Da:	8.37
IP(EA), eV:	-9.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations