Geometry & MOs

Info

ID:	155039
PubChem CID:	56314830
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	424.203193
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	6.47
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-[4-(2-methoxyethylsulfonyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=CC=C2C(C)C)C(=O)NC3CCN(CC3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations