Geometry & MOs

Info

ID:	177586
PubChem CID:	76201563
Reduced:	ClSN2O2H23C24 (1)
Stoich.:	ABC2D2E23F24 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	8.06
IP(EA), eV:	-8.26(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylpyrazolidin-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations