Geometry & MOs

Info

ID:	349788
PubChem CID:	127276180
Reduced:	N2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-191.21
Dipole, Da:	5.38
IP(EA), eV:	-9.44(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NCC(C2CC2)NC(=O)C3CCCOC3

DOS

IR

Vibrations