Geometry & MOs

Info

ID:	433987
PubChem CID:	135174137
Reduced:	ISN3C4H4 (1)
Stoich.:	ABC3D4E4 (1)
Weight, g/mol:	504.221147
ΔH_f, kcal/mol:	47.86
Dipole, Da:	5.53
IP(EA), eV:	-8.13(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C(=S)N=C1N)I

DOS

IR

Vibrations