Geometry & MOs

Info

ID:	422976
PubChem CID:	135118713
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-141.74
Dipole, Da:	4.44
IP(EA), eV:	-9.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CCC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations