Geometry & MOs

Info

ID:	157006
PubChem CID:	56404959
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	427.263506
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	6.84
IP(EA), eV:	-8.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CC3=CSC(=N3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations