Geometry & MOs

Info

ID:	130017
PubChem CID:	51074620
Reduced:	SN3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	333.241627
ΔH_f, kcal/mol:	-134.82
Dipole, Da:	3.47
IP(EA), eV:	-9.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC

DOS

IR

Vibrations