Geometry & MOs

Info

ID:	415418
PubChem CID:	135088412
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	3.4
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCCC(C3)OCC4=CC=CC=N4)C=C1

DOS

IR

Vibrations