Geometry & MOs

Info

ID:	434107
PubChem CID:	135174265
Reduced:	O2F3N3C23H30 (1)
Stoich.:	A2B3C3D23E30 (1)
Weight, g/mol:	477.08187
ΔH_f, kcal/mol:	-208.65
Dipole, Da:	7.82
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations