Geometry & MOs

Info

ID:	434025
PubChem CID:	135174178
Reduced:	PO3N6C27H29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	448.0917
ΔH_f, kcal/mol:	-15.89
Dipole, Da:	2.33
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]phenoxy]-N-(pyrrolidin-3-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OP(COCCN2C=NC3=C(N=CN=C32)N)NCCOCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations