Geometry & MOs

Info

ID:	415197
PubChem CID:	135088188
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	19.26
Dipole, Da:	3.04
IP(EA), eV:	-8.7(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations