Geometry & MOs

Info

ID:	427861
PubChem CID:	135164612
Reduced:	ClOF2N7H24C29 (1)
Stoich.:	ABC2D7E24F29 (1)
Weight, g/mol:	422.03967
ΔH_f, kcal/mol:	-3.53
Dipole, Da:	3.26
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-ylmethylamino)-1-[4-[(2-bromo-4-chlorophenyl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=CC=CC=C2F)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)F)C6=CC=CC=C6Cl

DOS

IR

Vibrations