Geometry & MOs

Info

ID:	369205
PubChem CID:	127331512
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	386.256943
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	6.55
IP(EA), eV:	-9.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CC=CC=C2N3C=NN=N3

DOS

IR

Vibrations