Geometry & MOs

Info

ID:	364762
PubChem CID:	127316093
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	356.257612
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	8.75
IP(EA), eV:	-8.81(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-adamantyl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations