Geometry & MOs

Info

ID:	355405
PubChem CID:	127288468
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	40.94
Dipole, Da:	4.24
IP(EA), eV:	-9.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=NNN=C3

DOS

IR

Vibrations