Geometry & MOs

Info

ID:	360458
PubChem CID:	127301103
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	4.32
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1-adamantyl)-2-oxoethyl]furo[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)CN2C=CC3=C(C2=O)C=CO3

DOS

IR

Vibrations