Geometry & MOs

Info

ID:	49998
PubChem CID:	11538648
Reduced:	OSCl2N4H12C18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	404.171162
ΔH_f, kcal/mol:	73.05
Dipole, Da:	5.73
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropylmethyl-[3-(4-methoxyphenoxy)propyl]amino]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=NC=CS4

DOS

IR

Vibrations