Geometry & MOs

Info

ID:	416660
PubChem CID:	135089975
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	1.92
IP(EA), eV:	-8.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=C(C=CO2)C(=O)NCCC3=NC=NN3C

DOS

IR

Vibrations