Geometry & MOs

Info

ID:	345354
PubChem CID:	127269654
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	1.86
IP(EA), eV:	-8.12(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations