Geometry & MOs

Info

ID:	267242
PubChem CID:	103581494
Reduced:	BrClON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	374.98371
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	2.48
IP(EA), eV:	-9.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine

Drug info:

PubChemData

Smile

CNC(=O)CNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations