Geometry & MOs

Info

ID:	270009
PubChem CID:	103622066
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	323.0321
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	5.15
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-2-methoxy-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C=CC(=C2)Br)O)C

DOS

IR

Vibrations