Geometry & MOs

Info

ID:	129741
PubChem CID:	51073692
Reduced:	ClN3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	4.93
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylmorpholin-4-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C(C)C)OC(=O)C2=CC(=CN2)Cl

DOS

IR

Vibrations