Geometry & MOs

Info

ID:	354986
PubChem CID:	127287847
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	2.12
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@H]2CCC(=O)N2)N3CCCC3=O

DOS

IR

Vibrations