Geometry & MOs

Info

ID:	373696
PubChem CID:	131318871
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	5.2
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-5-morpholin-4-yl-1H-pyrrol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1C(C#N)O)Cl)OC

DOS

IR

Vibrations