Geometry & MOs

Info

ID:	422129
PubChem CID:	135117260
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	365.246713
ΔH_f, kcal/mol:	-7.2
Dipole, Da:	4.68
IP(EA), eV:	-8.84(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2CC3=CC=CC=C3C2

DOS

IR

Vibrations