Geometry & MOs

Info

ID:	360576
PubChem CID:	127301221
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	4.2
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC1)N2CCC(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations