Geometry & MOs

Info

ID:	205028
PubChem CID:	80047046
Reduced:	BrN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	67.92
Dipole, Da:	1.63
IP(EA), eV:	-8.68(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-methoxybenzoyl)hexanoate

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C2=NN3C=C(C=CC3=N2)Br

DOS

IR

Vibrations