Geometry & MOs

Info

ID:	434103
PubChem CID:	135174261
Reduced:	ON2F3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	454.224341
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	5.9
IP(EA), eV:	-9.12(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-5-(2-methylpropoxy)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=CC(=C(C=C2)C#N)C(F)(F)F)CCCC3CCNC3

DOS

IR

Vibrations