Geometry & MOs

Info

ID:	331209
PubChem CID:	127248616
Reduced:	FO2N5C24H32 (1)
Stoich.:	AB2C5D24E32 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	2.83
IP(EA), eV:	-8.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=CC=C4)F)C)C

DOS

IR

Vibrations