Geometry & MOs

Info

ID:	56080
PubChem CID:	17404263
Reduced:	ON2S2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	367.262363
ΔH_f, kcal/mol:	7.02
Dipole, Da:	3.63
IP(EA), eV:	-8.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylpiperazin-1-yl)phenyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2=NC(=CS2)C3=CC=CS3

DOS

IR

Vibrations