Geometry & MOs

Info

ID:	359098
PubChem CID:	127297343
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	373.272927
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	3.96
IP(EA), eV:	-9.06(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(cyclobutylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)CC(=O)NCC3CCC3

DOS

IR

Vibrations