Geometry & MOs

Info

ID:	360525
PubChem CID:	127301170
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	4.85
IP(EA), eV:	-8.75(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)CCC(=O)N3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations