Geometry & MOs

Info

ID:	41845
PubChem CID:	8147275
Reduced:	SN4O5H14C17 (1)
Stoich.:	AB4C5D14E17 (1)
Weight, g/mol:	319.193614
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	4.27
IP(EA), eV:	-8.89(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations