Geometry & MOs

Info

ID:	422262
PubChem CID:	135117526
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	341.246713
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	7.59
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-4-[(4-methoxypyridin-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations