Geometry & MOs

Info

ID:	434066
PubChem CID:	135174223
Reduced:	OF3N3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	384.121625
ΔH_f, kcal/mol:	-98.5
Dipole, Da:	8.4
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[[2-chloro-4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=C(C=C(C=C2)C#N)C(F)(F)F)CNCC3CCNC3

DOS

IR

Vibrations