Geometry & MOs

Info

ID:	433988
PubChem CID:	135174138
Reduced:	N2O2F6C25H30 (1)
Stoich.:	A2B2C6D25E30 (1)
Weight, g/mol:	404.06549
ΔH_f, kcal/mol:	-378.2
Dipole, Da:	7.78
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations