Geometry & MOs

Info

ID:	27221
PubChem CID:	819752
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	251.092184
ΔH_f, kcal/mol:	-80.8
Dipole, Da:	3.02
IP(EA), eV:	-8.82(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-phenyl-[4-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations