Geometry & MOs

Info

ID:	358337
PubChem CID:	127295882
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	2.83
IP(EA), eV:	-9.49(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-methyl-N-(oxan-3-ylmethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)C2=CN=CN2

DOS

IR

Vibrations