Geometry & MOs

Info

ID:	271342
PubChem CID:	103655018
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	289.128963
ΔH_f, kcal/mol:	-124.13
Dipole, Da:	6.59
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-(trifluoromethyl)phenyl]methylamino]oxan-4-yl]methanol

Drug info:

PubChemData

Smile

C1COCCC1(CO)NCC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations