Geometry & MOs

Info

ID:	355917
PubChem CID:	127290769
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-101.53
Dipole, Da:	4.5
IP(EA), eV:	-9.33(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxybenzoyl)-N-(oxan-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NC3CCCOC3

DOS

IR

Vibrations