Geometry & MOs

Info

ID:	284555
PubChem CID:	104051667
Reduced:	FNOBr2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	357.09396
ΔH_f, kcal/mol:	-47.52
Dipole, Da:	1.67
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-amino-6-(5-bromo-2-methoxy-3,6-dimethylphenyl)hexanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=C(C=CC(=C2)Br)F)N)C)Br

DOS

IR

Vibrations