Geometry & MOs

Info

ID:	69437
PubChem CID:	47170066
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	289.150036
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	4.61
IP(EA), eV:	-9.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-N,3-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1C2CC3CC(C2)CC1C3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations