Geometry & MOs

Info

ID:	434353
PubChem CID:	135174754
Reduced:	O2F3N3C23H30 (1)
Stoich.:	A2B3C3D23E30 (1)
Weight, g/mol:	514.14428
ΔH_f, kcal/mol:	-204.33
Dipole, Da:	9.15
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=CC(=C1)OCC2=CN=C(C=C2)C(F)(F)F)CNCC3CCNC3

DOS

IR

Vibrations