Geometry & MOs

Info

ID:	433996
PubChem CID:	135174146
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	455.01668
ΔH_f, kcal/mol:	76.17
Dipole, Da:	6.82
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-chloro-N-[2-chloro-4-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=NC(=CC=C2)C#N)CNCC3CCNC3

DOS

IR

Vibrations