Geometry & MOs

Info

ID:	427876
PubChem CID:	135164830
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	483.115018
ΔH_f, kcal/mol:	60.81
Dipole, Da:	4.91
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[[3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=CN=CC=C2)CNCC3CNC3

DOS

IR

Vibrations