Geometry & MOs

Info

ID:	223503
PubChem CID:	85335135
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	394.203212
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	9.39
IP(EA), eV:	-9.22(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(3-fluorophenyl)pentyl]azetidin-2-yl]-[3-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2=C(C(=O)C2=O)N=C3C=NC=C(C3=O)C(=O)N(C)C

DOS

IR

Vibrations