Geometry & MOs

Info

ID:	419666
PubChem CID:	135108681
Reduced:	ClN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-129.15
Dipole, Da:	6.79
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,5-trimethyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)Cl)N3CCC4(CC3)C[C@]([C@H](CO4)O)(C)O

DOS

IR

Vibrations