Geometry & MOs

Info

ID:	330142
PubChem CID:	127247129
Reduced:	N2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	51.69
Dipole, Da:	3.17
IP(EA), eV:	-8.59(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=CC=CN3C

DOS

IR

Vibrations