Geometry & MOs

Info

ID:	364893
PubChem CID:	127316481
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	373.272927
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	1.68
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-cyclobutylpiperazin-1-yl)-3-oxopropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations