Geometry & MOs

Info

ID:	415786
PubChem CID:	135088787
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	351.231063
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	6.21
IP(EA), eV:	-9.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations