Geometry & MOs

Info

ID:	422153
PubChem CID:	135117302
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	323.124547
ΔH_f, kcal/mol:	-68.92
Dipole, Da:	3.0
IP(EA), eV:	-9.24(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-3-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CNC(=O)C=N3)C4=C1SC=C4

DOS

IR

Vibrations