Geometry & MOs

Info

ID:	365176
PubChem CID:	127316980
Reduced:	O3N5C20H33 (1)
Stoich.:	A3B5C20D33 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	6.28
IP(EA), eV:	-9.02(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCCCC2C(=O)N3CCOCC3)C(C)(C)C

DOS

IR

Vibrations