Geometry & MOs

Info

ID:	439014
PubChem CID:	135228776
Reduced:	N3O5C32H43 (1)
Stoich.:	A3B5C32D43 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-133.42
Dipole, Da:	9.43
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromo-4-methoxyphenyl)-3-methylbutan-2-yl]formamide

Drug info:

PubChemData

Smile

C/C=C(\C(=O)/C=C/1\C(=C)C(CC2=CC(=C(C=C21)OC)/C(=C/N(C)CCN3CCOCC3)/C=N)C(C)(C)C)/C(=O)O

DOS

IR

Vibrations