Geometry & MOs

Info

ID:	13706
PubChem CID:	397092
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-97.22
Dipole, Da:	8.82
IP(EA), eV:	-8.93(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-amino-7-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(OC5=CC(=O)C=CC5=C4)N

DOS

IR

Vibrations