Geometry & MOs

Info

ID:	242707
PubChem CID:	98461938
Reduced:	N3C7H7 (1)
Stoich.:	A3B7C7 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	75.03
Dipole, Da:	2.57
IP(EA), eV:	-8.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S,7S)-3-hydroxy-1-adamantyl]-N-(2-oxochromen-6-yl)acetamide

Drug info:

PubChemData

Smile

C1C=C2C=NC(=CC2=N1)N

DOS

IR

Vibrations