Geometry & MOs

Info

ID:	416595
PubChem CID:	135089795
Reduced:	OSN6H16C18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	80.46
Dipole, Da:	9.55
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(C2=C1NC=N2)C3=CC=CC=N3)CC4=NC(=O)C5=C(N4)C=CS5

DOS

IR

Vibrations