Geometry & MOs

Info

ID:	422374
PubChem CID:	135117709
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	3.67
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-N-pentan-3-yl-4-(quinolin-4-ylmethyl)oxolan-3-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=N2)CNC(=O)CN(C)C3CCS(=O)(=O)C3)C

DOS

IR

Vibrations