Geometry & MOs

Info

ID:	131747
PubChem CID:	51257775
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	3.56
IP(EA), eV:	-9.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,6-dimethylmorpholine-4-carbonyl)-1-methylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(=C1)C(=O)NCC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations