Geometry & MOs

Info

ID:	126560
PubChem CID:	50968113
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	330.124739
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	4.15
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-chloropyridin-2-yl)pyrrol-2-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

C1CC(OC1)C2=CC=C(S2)C(=O)NCCN3C(=O)C4=CC=CC=C4C=N3

DOS

IR

Vibrations