Geometry & MOs

Info

ID:	366687
PubChem CID:	127320216
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	4.7
IP(EA), eV:	-9.04(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations