Geometry & MOs

Info

ID:	361366
PubChem CID:	127302685
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-78.94
Dipole, Da:	1.1
IP(EA), eV:	-8.25(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(N2CC1)C=CC(=C3)NC(=O)CCC4CCCCO4

DOS

IR

Vibrations