Geometry & MOs

Info

ID:	417280
PubChem CID:	135091916
Reduced:	SO2N6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	6.05
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N2CCCN(CC2)CC(=O)NC3=NN=C(S3)COC

DOS

IR

Vibrations